sangeeta wrote:
Hi,
Can anyone suggest me is it possible to carry a minimisation followed by MD
simulation in Groamcs in a water box keeping both the ligand and the
substrate fixed?The backbone of the protein will also be fixed.
You can use position restraints on all molecules you want to fix. Check
the maual for that.
Cheers, jochen
regards
SANGEETA KUNDU
JUNIOR RESEARCH FELLOW
BOSE INSTITUTE
KOLKATA
--
Open WebMail Project (http://openwebmail.org)
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
************************************************
Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
************************************************
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
