[gmx-users] amidated C-terminus in the charmm ff port for gromacs

ABEL Stephane 175950 Stephane.ABEL at cea.fr
Thu Jan 28 18:57:39 CET 2010

Hi everybody

I am currently testing the CHARMM port for GROMACS pre4.1. I have downloaded the c32b1_release_1.1.zip file http://www.dbb.su.se/User:Bjelkmar/Ffcharmm (11:59, 23 Oct 2009). My protein protein have an acetylated N-terminus and amidated C-terminus. According to the CHARMM force field, these groups are considered as two residus named ACE and CT2, respectively. In the ffcharmm27.rtp, only the statement ACE, NMA are presents, where is the CT2 group in the file?

Thank you in advance for your help.


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