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Rafael de la Vega

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08/13/2015

12:32 AM GROMACS Bug #1802: g_chi segfault with system
That did the job, thanks. I did have FMC in a copy of residuetypes.dat but the file got lost in the creation of new d...

08/12/2015

11:41 PM GROMACS Bug #1802: g_chi segfault with system
I must have been a little unclear, any combination of options that I tried caused a segfault, including just the defa...
10:45 PM GROMACS Bug #1802: g_chi segfault with system
I tried a lot of options, none of them worked. I did get the system to work without the non-standard amino acid, so I...

08/11/2015

12:05 AM GROMACS Bug #1802: g_chi segfault with system
The system is a protein with a cysteine/flavin covalent adduct as a non-standard amino acid, called FMC. The force fi...
11:30 PM GROMACS Bug #1802 (Closed): g_chi segfault with system
When I run g_chi on this system, it segfaults, usually after writing the chiXXX.xvg files. I tried removing the non-s...

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