subject:"\[gmx\-users\] OWT5 not found in Charmmff"

Re: [gmx-users] OWT5 not found in Charmmff

2010-09-12 Thread Mark Abraham

- Original Message - From: Yao Yao Date: Saturday, September 11, 2010 10:00 Subject: [gmx-users] OWT5 not found in Charmmff To: gmx-users@gromacs.org > > > > I am running tip5p in charmm force field in gmx. In energy > minimization step, it gives an error msg a

[gmx-users] OWT5 not found in Charmmff

2010-09-10 Thread Yao Yao

I am running tip5p in charmm force field in gmx. In energy minimization step, it gives an error msg as below. I just simply added it in atomtypes.atp in charmm27.ff, but still it doesn't work. Does anyone know how to solve it? Many thanks, Yao ---