[gmx-users] About CNT wrapped by Cyclic peptide
vidhya sankar
scvsankar_agr at yahoo.com
Mon May 20 12:25:29 CEST 2013
Dear Mark and Justin Thank you for yours previous Replies;
You Mailed ME that My NVT and NPT equilibration is seems to be crashed . But Actually My NVT Equlibration and NPT Equlibation was Sucessfull It gives Nice output without Lincs warning , System exploding
But My Question Is there is Any Relation between System size and Equilibration Time
Because My I ran 2 ns equilibration (fro Both NPT & NVT ) So I want to Increase the time step to atleast 10 ns
Thanks In Advance
More information about the gromacs.org_gmx-users
mailing list