Minnale, > Thanks for the reply, what may be the reason GROMACS became great?
Check the JCC 2005 paper: http://www.ncbi.nlm.nih.gov/pubmed/16211538 > sometimes though system explodes it will generate energy minimisation > output.gro file we cant use this file for further run? Need more information..., what did you try to do? Did you do EM? Check for overlaps, go through your system carefully, don't stick your head in the sand and continue the simulation. Mind you that MD programs adhere to the Rubbish-in Rubbish-out protocol (RRP :p). Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
