[gmx-users] H3 of NPRO missing in AMBER force field

SebastianWaltz sebastian.waltz at physik.uni-freiburg.de
Wed May 23 12:17:11 CEST 2012


Hallo together,

in the amino acid data base file (aminoacids.rtp) of the amber99sb-ildn
force field the H3 hydrogen of NPRO is missing.
Would be nice if someone could add the missing parameters or pose them.

Thanks a lot

Sebastian



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