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 ,
Saikat
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Received on Tue Aug 29 2017 - 01:00:04 PDT
