[gmx-users] request

Dinesh Pinisetty dpinis1 at lsu.edu
Fri Jun 4 18:10:27 CEST 2004

Hi everyone,
      I am very sorry to disturb you all again,I know that there should be
topol.tpr file but when I am running the simulation for DMPC the tpr files
present in the directory where input.tpr and fullmd_sol.tpr.Should I rename
one of them so that g_msd reads them and gives out the diffusivity values.
     Is there any way to permanently sort out the problem so that code
automatically reads the tpr file and gives out the diffusivity values.
 Thanks all of you in advance.

Thanking You,

More information about the gromacs.org_gmx-users mailing list