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Isabella Daidone

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11/21/2007

06:19 PM GROMACS Bug #180: g_sas with 3.3 and 3.3.2 gives different results
(In reply to comment #3)
> OK, I think it is like this:
>
> If you use the -nopbc flag in 3.3.1 and 3.3.2 you get th...
06:05 PM GROMACS Bug #180: g_sas with 3.3 and 3.3.2 gives different results
Created an attachment (id=268)
files with area.xvg files
11:13 AM GROMACS Bug #180: g_sas with 3.3 and 3.3.2 gives different results
(In reply to comment #1)
> Hi Isabella, I think this is not a bug. To compare with 3.3.1 you have to add
> the flag -...

11/20/2007

02:32 PM GROMACS Bug #180 (Closed): g_sas with 3.3 and 3.3.2 gives different results
Created an attachment (id=267)
1 trajectory file with 1 frame containing 50 peptides, 2 .tpr files created with 2 dif...

10/24/2005

04:31 PM GROMACS Bug #25 (Closed): g_hbonds+Gromacs version 3.3
I experienced the following problems in using g_hbond of Gromacs 3.3:
1) option -sel gives a core (I was previously a...

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