[gmx-users] Writing velocity of particles using template.c

Dear gmx users, I am using template.c of gromacs 4.0.7 for writing my own analysis tool. When I am using the fr.x[i][XX], it writes the coordinates of the particles (i crosschecked it with the coordinates written by the trjconv command). But the problem arises when I use fr.v[i][XX] for writing th

[gmx-users] write velocity and coordinates with template.c

in; charset=ISO-8859-1; format=flowed > > On 26/07/2012 8:22 PM, prithvi raj pandey wrote: >> Dear gmx users, >> >> I am using template.c of gromacs 4.0.7 for writing my own analysis >> tool. When I am using the fr.x[i][XX], it writes the coordinates of >> th

[gmx-users] (no subject)

ame thing happens. Are we doing something wrong? Can you please help? -- Prithvi Raj Pandey National Chemical Laboratory, Pune 411008. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.

[gmx-users] pulling along hexane-water interface

yed a bit with the pull rate and pull constant, but same thing happens. Are we doing something wrong? Can you please help? -- Prithvi Raj Pandey National Chemical Laboratory, Pune 411008. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Ple

[gmx-users] Problem with g_density

were done using the folloing tool g_density -f-o -n -s -d Z Can anyone help? -- Prithvi Raj Pandey -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting

[gmx-users] Intermolecular RDF in DPPC

file /export/softexport/gromacs/share/gromacs/top/spc.itp Excluding 49 bonded neighbours molecule type 'DPPC' and does not proceed further. What is wrong? Can anyone please help? -- Prithvi Raj Pandey -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/li