[gmx-users] gmx rdf gromacs 5.1 question!

Stelios Karozis skarozis at ipta.demokritos.gr
Fri Sep 25 10:12:14 CEST 2015

Greeting everyone,
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

Karozis Stelios
Chemical Engineer, MSc
Research Associate at EREL
tel:    0030 210 650 3403
e-mail: skarozis at ipta.demokritos.gr 

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