[AMBER] problem in minimization and heating

From: Saikat Pal <saikatpaliitg.yahoo.com>
Date: Tue, 29 Aug 2017 07:42:37 +0000 (UTC)

Dear all,
I am facing this problem in case of minimization and heating also.

Sum of charges from parm topology file =   0.00000006     Forcing neutrality...
|  Running AMBER/MPI version on   64 nodes

If I run this job in 1 node it is running .In xleap charge is 0.00000. Is there any solution??Please help me out .I am running this job in amber14-sander.MPI.
Thanks And Regards ,
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Received on Tue Aug 29 2017 - 01:00:04 PDT
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