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.
regards SANGEETA KUNDU JUNIOR RESEARCH FELLOW BOSE INSTITUTE KOLKATA -- Open WebMail Project (http://openwebmail.org) _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
