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Jesper Soerensen

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07/07/2010

11:19 PM GROMACS Bug #460: g_energy nmol switch
Thanks for the reply. I see your point. I think I will just normalize the numbers after g_energy is done with them, i...
08:47 PM GROMACS Bug #460: g_energy nmol switch
Created an attachment (id=487)
1.5ns simulation edr file
08:21 PM GROMACS Bug #460: g_energy nmol switch
Commands:
> echo 1 9 10 11 13 15 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 | g_energy -f *300ns.ed...
08:18 PM GROMACS Bug #460: g_energy nmol switch
Created an attachment (id=486)
log file from -nmol 1
08:17 PM GROMACS Bug #460: g_energy nmol switch
Created an attachment (id=485)
Log file from -nmol 2

07/01/2010

09:22 PM GROMACS Bug #460 (Closed): g_energy nmol switch
Hello,
When I run g_energy with different -nmol numbers, only the bonded energy gets divided by the nmol number. As ...

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