[gmx-users] question about aminoacids.rtp file when adding a new residue

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Tue Sep 4 13:37:13 CEST 2012


I everybody,
I add a phosphate to my structure. Now I want to minimize the structure.
For this approach I have to add the serine with the phosphate as a new
residue (SEP).
To do this I first added it into the file "aminoacids.rtp". But here I
have a question. Is the number after the atom the charge of the atom?

Thank you,
Eva




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