this is my error message
--
Program gmx, VERSION 5.0.2
Source code file:
/home/abuild/rpmbuild/BUILD/gromacs-5.0.2/src/gromacs/gmxpreprocess/topdirs.c,
line: 166
Fatal error:
Invalid pairs type 5
For more information and tips for troubleshooting
I'm having big problems. I generated a topology using atb. I'm using the
external force fields recommended. I'm getting an invalid pairs 5 error. It
would be greatly appreciated if someone could help alleviate some stress. Thank
you
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>> My goal is to get a topology.tpr and trajectory.xtc in those file formats.
>> I’m starting off with .pdb, .xyz, and .gro files of an experimentally
>> determined crystal structure. The crystal contains two kinds of molecules
>> that interact via halogen bonding. i do not want to run these
> My goal is to get a topology.tpr and trajectory.xtc in those file formats.
> I’m starting off with .pdb, .xyz, and .gro files of an experimentally
> determined crystal structure. The crystal contains two kinds of molecules
> that interact via halogen bonding. i do not want to run these molecul