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Sascha Hempel

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07/15/2009

09:49 AM GROMACS Bug #337: generating pairs causing trouble when other nonbon_params are available
Of course,
I am sorry for the inconveniences i caused. I promise to look up my data better next time.
Thanks for t...

06/25/2009

11:16 AM GROMACS Bug #337: generating pairs causing trouble when other nonbon_params are available
First of all thanks for noticing my mistake in the pairs sections. I was messing around a little to much with my file...
10:36 AM GROMACS Bug #337: generating pairs causing trouble when other nonbon_params are available
Created an attachment (id=383)
input .top file
10:35 AM GROMACS Bug #337: generating pairs causing trouble when other nonbon_params are available
Created an attachment (id=382)
input .gro file
10:35 AM GROMACS Bug #337: generating pairs causing trouble when other nonbon_params are available
Created an attachment (id=381)
.mdp file

06/24/2009

05:04 PM GROMACS Bug #337 (Closed): generating pairs causing trouble when other nonbon_params are available
If there are any nonbond_params are given in the topology file and setting gen-pairs to yes. Gromacs is messing aroun...

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