[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
> mistake.
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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