On Mon, Apr 29, 2002, Vlad Cojocaru wrote:
> I have created a new frcmod file and I would like to join this frcmod
> file with parm94.dat?
> When I run parmjoin the following error appears:
>
> This program does not support vdw equivalent describations
> Please list the equivalented vdw parameters explicitly
I think you would have to modify parm94.dat in the suggested fashion: no
vdW equivalences, make everything specific. This should be quite simple
to do.
Note however, that I don't recommend doing this in general. The whole idea
of having "frcmod" files is to help you keep track of the differences
between what you are using and the "standard" parameters. Once you make
a modified parm94.dat file (either by hand, or by using parmjoin) you lose
this feature. Of course, I don't know what your specific needs/desires
are, but you might want to consider carefully whether doing this sort of
merge is really a good idea.
...good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Mon Apr 29 2002 - 11:26:26 PDT
