Re: [gmx-users] COM RDF

2012-07-04 Thread Justin A. Lemkul
On 7/4/12 1:31 PM, Dr. Vitaly V. G. Chaban wrote: Dear GROMACS people - I am calculating radial distribution function between the centers of mass of two large particles in a periodic box. My command is -- g_rdf_455 -n 2drops.ndx -rdf mol_com -s topol.tpr -f conf.gro My index file contains t

Re: [gmx-users] COM RDF

2012-07-04 Thread Dr. Vitaly V. G. Chaban
>> Dear GROMACS people - >> >> I am calculating radial distribution function between the centers of >> mass of two large particles in a periodic box. >> >> My command is -- g_rdf_455 -n 2drops.ndx -rdf mol_com -s topol.tpr -f >> conf.gro >> >> My index file contains two groups of atoms standing fo

Re: [gmx-users] COM RDF

2012-07-04 Thread Justin A. Lemkul
On 7/4/12 1:07 PM, Dr. Vitaly V. G. Chaban wrote: Dear GROMACS people - I am calculating radial distribution function between the centers of mass of two large particles in a periodic box. My command is -- g_rdf_455 -n 2drops.ndx -rdf mol_com -s topol.tpr -f conf.gro My index file contains t