[gmx-users] g_rama problem

David van der Spoel spoel at xray.bmc.uu.se
Fri Nov 14 19:45:01 CET 2003

On Fri, 14 Nov 2003, Osmair Vital de Oliveira wrote:

>I executed the g_rama, but the program compiled:
>Found 14 phi-psi combinations
>Fatal error: Dihedral around 13,15 not found in topology
>My *.top and *.tpr are ok.
>What is the problem?
g_rama is force field sensitive. you probably have OPLS force field. An
all atom gromacs topology might do the trick.

David van der Spoel, PhD, Assist. 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://xray.bmc.uu.se/~spoel

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