[gmx-users] probability from COM of micelle

2013-05-10 Thread mohammad agha
s.org" Cc: Sent: Friday, May 10, 2013 2:06 PM Subject: [gmx-users] probability from COM of micelle Hi, You indeed could use  the g_rdf command like this (in the script) g_rdf_mpi -f "$pathXTC" -s "$pathTPR" -n bOG_Micelle_RDF.ndx -norm -com -b $timeBegin1 -e $timeEnd

[gmx-users] probability from COM of micelle

2013-05-10 Thread mohammad agha
s.org" Cc: Sent: Friday, May 10, 2013 2:06 PM Subject: [gmx-users] probability from COM of micelle Hi, You indeed could use  the g_rdf command like this (in the script) g_rdf_mpi -f "$pathXTC" -s "$pathTPR" -n bOG_Micelle_RDF.ndx -norm -com -b $timeBegin1 -e $timeEnd

[gmx-users] probability from COM of micelle

2013-05-10 Thread ABEL Stephane 175950
20 If we have protein-ligand interaction whether we should have single group of protein-ligand complex or we should use two different groups for protein and ligand. Regards Arunima -- Thanking You with Regards. Arunima Shilpi Ph. D Research Scholar(Cancer & Epigenetics) Department of Life Science

[gmx-users] probability from COM of micelle

2013-05-09 Thread mohammad agha
Dear GROMACS Specialists, Thank you very much from your answer, but I want to know plotting this curve from g_rdf. May I ask you to give me one formula by this command, Please? Best Regards Sara On 2013-05-09 20:15, Justin Lemkul wrote: > > > On 5/9/13 10:15 AM, mohammad agha wrote: >> >> >> De