Re: [gmx-users] about g_mindist....

On 30/03/2012 12:40 AM, rama david wrote: Hi mark .. thank you for your suggestion.. My command line is g_mindist -f ..xtc -s ..tpr -od minimal.xvg -pi protein group contain information about the 284 atom (i.e. All protein atoms) So clearly some part of some molecule is protruding across

Re: [gmx-users] about g_mindist....

Hi mark .. thank you for your suggestion.. My command line is g_mindist -f ..xtc -s ..tpr -od minimal.xvg -pi protein group contain information about the 284 atom (i.e. All protein atoms) .. So please suggest me the right way .. On Thu, Mar 29, 2012 at 2:02 PM, Mark Abraham wrote: > On 29/0

Re: [gmx-users] about g_mindist....

On 29/03/2012 7:20 PM, rama david wrote: Hi everybody , I run simulation of 4 same molecule keep apart in box of 4 4 4 dimension ..( 71 atom in one molecule = 71 * 4 = total atom are 284 ) force field = gromacs96 53a6 COM (center of mass) infirmation of molecules system size :

[gmx-users] about g_mindist....

Hi everybody , I run simulation of 4 same molecule keep apart in box of 4 4 4 dimension ..( 71 atom in one molecule = 71 * 4 = total atom are 284 ) force field = gromacs96 53a6 COM (center of mass) infirmation of molecules system size : 1.255 1.577 1.883 box vectors : 4.000 4