[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
> Dept. of Cell & Molec. Biol., Uppsala University.
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