[gmx-users] Dihedral restraints in 4.6 vs 4.5.X
Per Larsson
per.larsson at sbc.su.se
Mon Mar 18 15:22:17 CET 2013
Thanks - I have filed issue #1194 and assigned it to David.
http://redmine.gromacs.org/issues/1194
Let me know if there is anything else that is needed. I could take a shot at myself, and will play around with it, but I don't know the details of the symtab in any detail, unfortunately.
15 mar 2013 kl. 19:51 skrev David van der Spoel:
>>
>> Taking away the restraint allows me to start the run in 4.6.1, and also reformatting the [ dihedral_restraint ] section to comply with 4.6 works.
>> Is this a know issue, am I missing something obvious, or should I file an issue on redmine?
>
> redmine please.
>
>>
>> Thanks
>> /Per--
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>
>
> --
> David van der Spoel, Ph.D., Professor of Biology
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