Hi,
Could you list the exact commands you used and the output (including
any error messages) that it produced? Also, what version of AmberTools
are you using, and have all bugfixes been applied?
-Dan
On Fri, Mar 1, 2013 at 6:28 AM, Kshatresh Dutta Dubey
<kshatresh.gmail.com> wrote:
> 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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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Fri Mar 01 2013 - 07:00:03 PST
