[gmx-users] About CNT cyclic PEptide
jalemkul at vt.edu
Mon May 20 15:38:36 CEST 2013
On 5/20/13 9:30 AM, vidhya sankar wrote:
> Dear Mark/justin Thank you for Previous reply
> My Final Production MD only shows Error Like Lincs , System Exploding And segmentation Fault
> TO Avoid this May I Further Extend My equilibration from 2 ns to 10 ns ?
Given that we don't know (1) if you built the system right, (2) constructed the
topology correctly, (3) are using correct .mdp settings or (4) what you define
as "equilibration" and how it differs from the failing run, there is absolutely
no useful advice that anyone can give you beyond guesswork, which is a waste of
time for everyone involved. If you provide a thorough description of precisely
what you have done, someone may be able to help you.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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