[gmx-users] Change N-terminal in GROMOS96 forcefield

Miguel Machuqueiro machuque at itqb.unl.pt
Wed Apr 14 15:44:00 CEST 2004

Hi there,

I'm having trouble modifying the file ffG43a1-n.tdb (of the termini 
databases) in order to get the NH2 section to bear an extra hydrogen (with 
mass but without charge).
I've played around with it and it isn't obvious!!!
Does anyone have tried this before?
Thanx in advance.

Miguel Machuqueiro
ITQB-Instituto de Tecnologia Química e Biológica
     Universidade Nova de Lisboa
Molecular Simulation Group - 6º Floor (Room 601)
Av. da República, EAN, Apartado 127
2781-901 Oeiras, Portugal
Tel. : +351 265 501614 /Mobile: +351 96 7562285
E-mail1: machuque at itqb.unl.pt
E-mail2: miguel.machuqueiro at ioc.unibe.ch
E-mail3: masm at fc.ul.pt

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