[gmx-users] g_rama problem

[David]

On Sun, 2003-09-14 at 22:27, David Kendall wrote:
> When trying to run g_rama I get the following error:
> 
> Reading file gluase2.tpr, VERSION 3.1.4 (single precision)
> Found 7 phi-psi combinations
> Fatal error: Dihedral around 12,14 not found in topology
> 
> I am not certain what I am doing wrong.  I am using OPLS-AA 2001 for the
> force field when I generate the topology.  Any ideas how to correct or
> avoid?

Hm, apparently the g_rama program expects that you have a certain
dihedral angle defined in the topology. 

A quick workaround would be to rerun pdb2gmx and select ffgmx2 (all atom
version) and make a tpr from that one (just for analysis!)
> 
> David
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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