تبلیغات
مهندسی داروسازی +pharmaceutical engineering - آموزش نرم افزار و انجام پروژه 1

کلید موفقیت : تلاش+برنامه ریزی +پشت کار

آموزش نرم افزار و انجام پروژه 1

نویسنده :یوسفی +09187135911
تاریخ:دوشنبه 5 اسفند 1392-09:29 ب.ظ

جهت آموزش مطالب و نرم افزارهای زیر درخواست خود را  به آدرس jabneg@gmail.com ایمیل نمایید.

شبیه سازی و دینامیک مولکولی

سر فصل ها:

1-     آموزش مبانی دینامیک مولکولی

·        انواع میدان های نیرو و مقایسه آن ها

میدان های نیرو و موارد کاربرد آن‌ها

مخفف میدان نیرو

میدان نیرو

میدان  نیروی کلاسیک

AMBER

Assisted Model Building and Energy Refinement

CHARMM

Chemistry at HARvard Molecular Mechanics

CVFF

consistent-valence forcefield

GROMOS

GROningen MOlecular Simulation package

OPLS 

Optimized Potential for Liquid Simulations)

UFF

Universal force field

میدان نیروی نسل دوم

CFF

Consistent Force Field

COMPASS

Condensed-phase Optimized Molecular Potentials for Atomistic Simulation Studies

PCFF

polymer consistent forcefield

MMFF 

Merck Molecular Force Field

 

·        بهینه سازی ساختار مولکول

·        هنگرد های موجود برای به تعادل رساندن سیستم

انواع روش های کوپل دما و فشار

روش کوپل دما

Velocity scale

Nose-Hoover

Anderson

Berendsen

روش کوپل فشار

Parrinello-Rahman

 

Andersen

 

·        نحوه به دست آوردن تابع توزیع شعاعی و تحلیل آن

·        موارد استفاده از تابع توزیع شعاعی

·        به دست آوردن MSD

 

2-     آموزش نرم افزار Material Studio

·        نحوه ترسیم ساختار

·        ایجاد جعبه مورد نظر برای شبیه سازی

·        تنظیم دما و فشار (مرحله تعادل)

·        مرحله تولید یا production phase

·        آنالیز نتایج شامل:

-         تعیین پروفایل غلظت در ابعاد مختلف هنگرد

-         تعیین دانسیته سیستم

-         به دست آوردن MSD

-         پروفایل فشار

-         تابع توزیع شعاعی (RDF or PCF)

-          Radious of gyration

-         توزیع دما، انرژی های بین مولکولی و درون مولکولی و سرعت

-         به دست آوردن عدد کئوردیناسیون

-         به دست آوردن مقدار انتگرال کرک-باف




داغ کن - کلوب دات کام
نظرات() 
MFC-L2705DW
یکشنبه 27 خرداد 1397 09:08 ب.ظ
The heat causes the toner particles to melt, and fuse with all the
fibers inside paper. But I will present the benefits of each printer brand for you to pick
which to purchase. A laser printer can serve your own purpose, in order to
print in Black and White.
togel online
جمعه 25 خرداد 1397 12:31 ق.ظ
whoah this blog is fantastic i really like reading your articles.
Stay up the great work! You know, many people are hunting round for this info, you
can help them greatly.
aliasy bez reklam
چهارشنبه 16 خرداد 1397 11:17 ب.ظ
Because the admin of this site is working, no hesitation very rapidly it will be well-known,
due to its feature contents.
Ruyamda yilan oldurdum
یکشنبه 13 خرداد 1397 12:46 ق.ظ
Rüyada yılan öldürmek veyahut rüyanızda yılan öldürdüğünü görmeniz;
size zarar vermeyi planlayan bir düşmanınızın size zarar veremeden bu planının bozulacağına işarettir.
Bunun en güzel tarafı, onun planını farkında bile
olmadan bozmuş olmanız. Siz de eğer rüyada yılan öldürdüğünü görmek ne anlama gelir diye düşünüyorsanız rahat olun,
özel bir şey yapmanıza bile gerek yok, kendiliğinizden bir adımatacaksınız ve bu
attığınız adım düşmanınızın size zarar vermek için kurduğu
tuzakları boşa çıkaracaktır.
Ruyada yilan sokmasi
شنبه 22 اردیبهشت 1397 09:59 ب.ظ
Rüyada siyah yılan öldürmek; Bu iyi haber! Çünkü eğer rüyanda
siyah bir yılan öldürdüysen, sana düşmanlık etmeyi düşünen biri
var, hatta sana zarar vermek için elindeki tüm imkanları seferber
ediyor fakat yine de sana hiçbir zarar veremeyecek şeklinde yorumlanır.

Bahsi geçen düşmana karşı kendini korumak için fazladan bbir çaba sarfetmene gerek yok,
şansa kadere yaptığın şeyler yeterli gelecek.

Özetle kaderine güvenerek bu gizli düşmanın hakkından geleceksin.
diet con trung
سه شنبه 18 اردیبهشت 1397 02:58 ب.ظ
Just wish to say your article is as astounding.
The clarity for your publish is simply excellent and i could
think you are a professional in this subject. Fine with your permission allow me to snatch your feed to stay up to date with coming near near post.
Thank you 1,000,000 and please keep up the gratifying work.
Patty
جمعه 7 اردیبهشت 1397 02:28 ق.ظ
Thanks for every other great article. The place else may just anybody get that type of information in such an ideal method of writing?
I've a presentation subsequent week, and I'm at the search for such info.
lottery france results
پنجشنبه 6 اردیبهشت 1397 04:09 ب.ظ
Don't fall for this either - it's what's known commonly as a Nigerian 419 scam - and
the check you received is either drawn from a false account
or will bounce when you deposit it. The most simple
of these reasons is that the systems have shown to be effective.
Our first scoring rule is 'If B2, D2, F2, and D5 all match, then 21 points".
arkema chemical plant
جمعه 31 فروردین 1397 11:29 ب.ظ
Appreciation to my father who stated to me concerning this blog, this weblog is in fact amazing.
tony robbins no brasil
یکشنبه 26 فروردین 1397 07:09 ب.ظ
You need to be a part of a contest for one of the highest
quality blogs online. I will recommend this blog!
Cialis prices
یکشنبه 19 فروردین 1397 04:10 ق.ظ

Kudos. I value it!
price cialis per pill cialis efficacit cialis with 2 days delivery prescription doctor cialis rx cialis para comprar sialis click here take cialis when can i take another cialis cialis venta a domicilio cialis online napol
filmy pobierz
سه شنبه 14 فروردین 1397 06:02 ق.ظ
Hi, its good article about media print, we all be aware
of media is a impressive source of facts.
Generic cialis
جمعه 3 فروردین 1397 07:22 ق.ظ

Wow tons of excellent info!
buy original cialis cialis super acti brand cialis generic overnight cialis tadalafil canadian cialis are there generic cialis cialis free trial walgreens price for cialis we like it cialis soft gel low dose cialis blood pressure
empreendedorismo e projeto de vida ftd
جمعه 18 اسفند 1396 08:05 ب.ظ
DRUQUER, Peter Ferdinand. Jesus, 2009. (BUARQUE, 2008).
web cam models
یکشنبه 17 دی 1396 03:59 ق.ظ
Hello my friend! I want to say that this post is amazing, great written and come with approximately all significant
infos. I would like to see extra posts like this .
hot webcam girls
شنبه 16 دی 1396 01:41 ق.ظ
Sweet blog! I found it while searching on Yahoo News. Do you have any suggestions on how to get
listed in Yahoo News? I've been trying for a while but I never seem to get there!

Thank you
hot webcam girls
چهارشنبه 13 دی 1396 05:02 ق.ظ
Spot on with this write-up, I truly think this site needs far more attention. I'll probably be back again to see more,
thanks for the advice!
cam4 token generator 2016
دوشنبه 6 آذر 1396 05:45 ب.ظ
من عاشق آنچه شما بچه ها معمولا بیش از حد. این کار هوشمندانه است
و گزارش! بچه های آثار فوق العاده ای را نگه داشته ام، شما بچه ها را به وبلاگ خود اضافه کرده اید.
best psychic mediums
جمعه 12 آبان 1396 07:41 ب.ظ
سلام دوست من! من می خواهم بگویم که این پست شگفت انگیز، زیبا نوشته شده و شامل تقریبا همه است
اطلاعات مهم من می خواهم پست های بیشتری مانند این را همگام سازی کنم.
what is how to place a stock trade
سه شنبه 21 شهریور 1396 03:54 ب.ظ
Greetings! Very helpful advice in this particular post!
It is the little changes that produce the largest changes.
Many thanks for sharing!
andre dovi
چهارشنبه 18 مرداد 1396 02:34 ب.ظ
http://www.motogp.com
How we can increase our height?
یکشنبه 15 مرداد 1396 11:25 ب.ظ
Good day! I know this is somewhat off topic but I was wondering if you knew where I could find a captcha plugin for my comment form?

I'm using the same blog platform as yours and I'm having trouble
finding one? Thanks a lot!
nakamenos.ph
دوشنبه 2 مرداد 1396 07:15 ب.ظ
Hello, Neat post. There is a problem along with your site in web explorer,
could check this? IE nonetheless is the marketplace chief and
a huge component to people will pass over your excellent writing because of this problem.
foot pain end of day
چهارشنبه 21 تیر 1396 09:23 ب.ظ
Hi there i am kavin, its my first occasion to commenting anywhere, when i read this post i
thought i could also create comment due to this good article.
Gilberto
دوشنبه 25 اردیبهشت 1396 08:11 ق.ظ
Hello there! This post could not be written any better!
Looking at this article reminds me of my previous roommate!
He continually kept talking about this. I am going to forward this article to him.

Fairly certain he'll have a great read. Thank you for sharing!
BHW
پنجشنبه 24 فروردین 1396 12:51 ق.ظ
Wow, superb blog layout! How long have you been blogging for?
you made blogging look easy. The overall look of your web site is wonderful,
as well as the content!
manicure
شنبه 19 فروردین 1396 07:37 ق.ظ
Hello there, I think your blog might be having internet browser compatibility issues.
Whenever I look at your blog in Safari, it looks fine but when opening in IE, it's got some overlapping
issues. I simply wanted to provide you with a quick
heads up! Besides that, excellent site!
manicure
سه شنبه 15 فروردین 1396 12:04 ق.ظ
I was wondering if you ever thought of changing the layout of your
blog? Its very well written; I love what youve got to say.
But maybe you could a little more in the way of content so
people could connect with it better. Youve got an awful lot of text for only having one or 2 images.

Maybe you could space it out better?
 
لبخندناراحتچشمک
نیشخندبغلسوال
قلبخجالتزبان
ماچتعجبعصبانی
عینکشیطانگریه
خندهقهقههخداحافظ
سبزقهرهورا
دستگلتفکر




Admin Logo
themebox Logo