[gmx-users] problem with g_rmsf
Adriana Pietropaolo
adriana at ms.fci.unibo.it
Fri Feb 10 17:55:51 CET 2006
Hi gromacs users,
I've not well understand how g_rmsf makes the least squares respect to a
reference structure.
If I make:
g_rmsf -f a.xtc -s a.tpr -q standard.pdb -od
where a.tpr is the run file relative to the xtc trajectory,
I don't know why if I change the standard pdb, with a run
configuration, the results is the same and if I make:
g_rmsf -f a.pdb -s a.tpr -q a.pdb
where the reference and input configurations are the same and a.pdb is one
configuration,
the results is different from zero.
How do I fall?
thanks,
Adriana
--
_____________________________________________
Adriana Pietropaolo,
PhD student,
dipartimento di Chimica Fisica ed Inorganica,
Facolta' di Chimica Industriale
Universita' di Bologna
WEB:www2.fci.unibo.it/~adriana
Tel 051/6446992
FAX 051/2093690
_____________________________________________
More information about the gromacs.org_gmx-users
mailing list