[gmx-users] g_rama problem

[David van der Spoel]

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

>
>Hi
>
>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.
________________________________________________________________________
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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