[gmx-users] probability from COM of micelle

2013-05-10 Thread ABEL Stephane 175950
: 2 Date: Thu, 09 May 2013 21:03:44 +0200 From: David van der Spoel sp...@xray.bmc.uu.se Subject: Re: [gmx-users] Fw: probability from COM of micelle To: gmx-users@gromacs.org Message-ID: 518bf310.6020...@xray.bmc.uu.se Content-Type: text/plain; charset=ISO-8859-1; format=flowed On 2013-05-09 20:15

[gmx-users] probability from COM of micelle

2013-05-10 Thread mohammad agha
To: gmx-users@gromacs.org gmx-users@gromacs.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

[gmx-users] probability from COM of micelle

2013-05-10 Thread mohammad agha
To: gmx-users@gromacs.org gmx-users@gromacs.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

[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: Dear