[gmx-users] problem in simulation of dna-protein complex

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Jul 1 08:44:46 CEST 2009

Hi Nitu,

Check the atoms and their order in the pdb and the rtp file and try to
find out which match and which miss.

>     C2    amber99_2     0.56770    25
>      O    amber99_41   -0.58810    26

I place my bet on this one.



Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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