[gmx-users] question about dihedral angles check

Adriana Pietropaolo adriana at ms.fci.unibo.it
Fri Feb 17 15:26:02 CET 2006

Hi gmx users,
I've a doubt about the dihedral angles written in the file .top generated 
by pdb2gmx.
When I try to run g_rama, there was a fatal error because in the topology 
file lacked some dihedrals, but I check the topology file and in 
the dihedrals part the four atom numbers are written for each 
torsions of my protein, followed by 3. 
However the chi dihedrals label as HIS_chi... are not
consecutively written as in the protein sequence.
How can I do to verify that the torsions is good...the torsions is the 
central part of dynamics... 
Adriana Pietropaolo,
PhD student,
dipartimento di Chimica Fisica ed Inorganica,
Facolta' di Chimica Industriale
Universita' di Bologna
Tel 051/6446992
FAX 051/2093690 

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