Yang Ye wrote:
ARGYRIOS KARATRANTOS wrote:
Hi all,
is it possible in the topology file to have (compination rule=1) and
have under
the [nonbond_params] both LJ potentials and Buckingham potentials.
please let
me know. i am doing that but i get some warnings after "grompp"
procedure.
it is not possible, but you can use two different tabulated potentials.
Please be more specific. What's the warning?
Yang Ye
thanks in advance
Argyris Karatrantos
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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