[gmx-users] gmx rdf gromacs 5.1 question!
skarozis at ipta.demokritos.gr
Fri Sep 25 10:12:14 CEST 2015
I strated using gromacs 5.1 and I have difficulties with gmx rdf
command. With older version of gromacs I used -xy -rdf mol_com
flags. As far as I can understand, the equivalent flags for gromacs 5.1
are -xy -selrpos mol_com but the result is not correct. For instance
the first peak is at 0nm and not close to 0.5nm...
I believe I am not using the right flags.
Thanks in advance for your help
Chemical Engineer, MSc
Research Associate at EREL
NCSR D- INRASTES
tel: 0030 210 650 3403
e-mail: skarozis at ipta.demokritos.gr
More information about the gromacs.org_gmx-users