d.mohammadyani at gmail.com
Wed Mar 14 15:03:31 CET 2012
When I am using:
genbox -cp confout.gro -cs water-1bar-303K.gro -vdwd 0.21 -o solvated.gro
to add water in a coarse grained system, after running mdrun I am getting
"Syntax error" and it shows maybe the distances are so close or there are
Do you know how can I figure it out?
Or actually if we have some clashes in system how we can correct them?
Department of Structural Biology
University of Pittsburgh School of Medicine
Biomedical Science Tower 3
3501 Fifth Avenue
Pittsburgh, PA 15261
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