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Old 12-31-2011, 12:11 AM   #1
bashistha
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Registered: Dec 2011
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Question Production of conformations(.pdb) after certain time while running MD simulation


Dear Friends

I am currently new user of Gromacs. I can run MD simulation for Cytochrome P450. but can not produce confirmations after certain time during MD simulation. Can anyone help me in this regard- what command , what helping file etc..?
 
Old 01-16-2012, 06:41 PM   #2
gleedads
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Registered: Nov 2008
Location: Cape Breton, Nova Scotia, Canada
Distribution: Debian etch
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I'm afraid I don't have an answer for you but maybe I can point you towards better help. If you're doing MD in gromacs then I'm guessing you're either a physicist or a theoretical chemist. This is a general linux OS discussion board so there probably aren't a lot of people here who know anything about gromacs. I'm a theoretical physicist, but I don't use gromacs so I'm no help to you. You really want a gromacs-specific discussion group. Try:

http://www.gromacs.org/Support/Maili...gmx-users_List

or perhaps

http://foldingforum.org/

or see if any of your peers know a better place for gromacs discussion.

Cheers!
 
  


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