Check out ffoplsaanb.itp
Tom
--On Friday, October 26, 2007 01:05:46 -0700 hhhh huan
<[EMAIL PROTECTED]> wrote:
i checked it but the what is the atomtype for opls_064
for?
thanks
--- David van der Spoel <[EMAIL PROTECTED]> wrote:
hhhh huan wrote:
> i am a new user of Gromacs and i would like to
knoe
> the opls for C, =O, and -O in RCOOR'. i tried it
many
> times but i still fail to get the proper answer..
> thanks
if you mean the atomtypes
check ffoplsaa.atp
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular
Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala
University.
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phone: 46 18 471 4205 fax: 46 18 511 755
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----------------------
TJ Piggot
[EMAIL PROTECTED]
University of Bristol, UK.
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