[gmx-users] grompp error
David van der Spoel
spoel at xray.bmc.uu.se
Thu Dec 20 22:17:33 CET 2001
Is this only copper or only potassium? Anyway, I think both of them are in
one of the ff*nb.itp files. Copy the ffXnb.itp file that you intend to
use to your working directory and add the two lines for K+ and Cu+, then
try again.
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
More information about the gromacs.org_gmx-users
mailing list