[gmx-users] (no subject)
SLN Prasad Reddy
sreeyapu at rediffmail.com
Thu Nov 11 19:54:15 CET 2004
Dear gromacs users
To do energy minimization for more time i increased n_steps in steep.mdp file to 1000 from 100.Then i tried to get xxx.tpr for SD by 'grompp' command but gromacs complaining that the number of coordinates in xxx.pdb ( input file i used for 'grompp' command) and xxx.top file are diffrent. But if try with steep.mdp having n_steps 100, grompp working properly with out any problem. Kindly mail me the solution for this problem. Your help is deeply appreciated.
Many thanks in advance
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