LinuxQuestions.org - Production of conformations(.pdb) after certain time while running MD simulation

- Linux - Newbie (https://www.linuxquestions.org/questions/linux-newbie-8/)

- - Production of conformations(.pdb) after certain time while running MD simulation (https://www.linuxquestions.org/questions/linux-newbie-8/production-of-conformations-pdb-after-certain-time-while-running-md-simulation-921311/)

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..?

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!