Dear All,
I have to simulate Arsenite, As(OH)3, using Amber. I optimized the
structure using Gaussian and calculated ESP fitting. I successfully
generated the prepin and frcmod files using antechamber and resp procedure.
Unfortunately, I am unable to generate corresponding topology and
coordinate file using Leap. During the process, leap accepts prepin file
but the it is unable to load corresponding frcmod file.
Please help me to solve this issue.
Thanks in advance
Kshatresh
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Received on Fri Mar 01 2013 - 06:00:04 PST
