[gmx-users] (no subject)

[Mungikar, Amol Arvind (UMR-Student)]

GROMACS engine is working fine for my system (peptide and water) for 5000 steps (10 ps). But its not working for step size greater than 5000. To begin with 'grompp' is giving all kinds of errors, I found almost all the errors listed in the gmx-users archives, but I couldnt locate this strange phenomena. Please kindly let me know if there is any solution to this problem.
Thank you very much for your time.
Sincerely,
Amol Mungikar
Graduate Student 
University of Missouri, Rolla