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srinivasa rao

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04/06/2010

02:45 PM GROMACS Bug #404: energy increase in nvt and nve simiulations
Created an attachment (id=444)
tar file contains the tpr, md.mdp and .gro files that i have used for the simulations
02:43 PM GROMACS Bug #404 (Closed): energy increase in nvt and nve simiulations
Hi
When i am trying to run NVT and NVE simulations, i found that energy is continuously blowing up. I have two tempe...

03/06/2010

11:43 PM GROMACS Bug #400: problem with freezing group and temperature coupling
Created an attachment (id=440)
tpr file generated with grompp
11:42 PM GROMACS Bug #400: problem with freezing group and temperature coupling
Created an attachment (id=439)
topology file
11:42 PM GROMACS Bug #400: problem with freezing group and temperature coupling
Created an attachment (id=438)
log file
11:41 PM GROMACS Bug #400: problem with freezing group and temperature coupling
Created an attachment (id=437)
non freeze group
11:40 PM GROMACS Bug #400: problem with freezing group and temperature coupling
Created an attachment (id=436)
freeze group
11:40 PM GROMACS Bug #400: problem with freezing group and temperature coupling
Created an attachment (id=435)
index file
11:39 PM GROMACS Bug #400: problem with freezing group and temperature coupling
Created an attachment (id=434)
mpd config file
11:39 PM GROMACS Bug #400: problem with freezing group and temperature coupling
Created an attachment (id=433)
gromacs coordinates

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