rekkha nivethitha wrote:
Hi frnds,
On running, Molecular dynamics simulation of protein-protein complex, While
running md run, i got this error,
*
"Back Off! I just backed up complex_pr1.trr to ./#complex_pr1.trr.5#
Back Off! I just backed up complex_pr1.edr to ./#complex_pr1.edr.5#
Step 0, time 0 (ps) LINCS WARNING
relative constraint deviation after LINCS:
<snip>
Can u help me in, how to rectify this problem and find a suitable solution
to the problem.
I sent a reply to this post yesterday, but it seems to have not gone through.
Check the list archives, since this generic error has come up thousands of times
before, as well as:
http://www.gromacs.org/Documentation/Terminology/Blowing_Up
If the error persists, please provide a detailed description of how you built
your system (actual commands) and what you've done as far as energy
minimization, equilibration, etc.
-Justin
Thank u in advance.
--
S.T.B. Rekkha Nivethitha
MPhil, Department of Bioinformatics,
Structural Biology Lab,
Bharathiar University,
Coimbatore - 46.
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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