[gmx-users] Error while doing EM in DMSO.
David van der Spoel
spoel at xray.bmc.uu.se
Wed May 16 21:07:54 CEST 2007
Anil Kumar wrote:
> Dear Users,
> First of all thank you Mark, yes you are right. it was problem of force
> field and topoloy file mismatch.
> I have made changes in the ffG43a1 residue toplogy file for DMSO., but
> still getting the same error. Please let me know if i am doing some
If the problem is the missing masses, then just add them in the [atoms]
section. (Chapter 5)
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
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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