[gmx-users] Issue with Atom Types/Charges/Mass when

aschug at ctbp.ucsd.edu aschug at ctbp.ucsd.edu
Thu Sep 23 15:39:58 CEST 2010

Dear Tom,

I know that there were some ATP-related issues in past versions of gromacs
using the gromos-ff: Gromos used some 5-letter atom types which was a
problem as the pdb file format only has 4 columns for them so you had to
do some renaming. I thought this not to be an issue anymore and am
surprised by your solution- but very, very happy that it works :)

So thank you very much for your help,

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