[gmx-users] add ion SCN - in OPLS-aa ff

2012-02-28 Thread nana gomez
Dear Justin and All Right now, I am trying to add new residue in OPLS-aa ff when I make the following grompp -f file.mdp -c file.gro -p file.top -o file I have the following error > > Program grompp, VERSION 4.5.2 > Source code file: toppush.c, line: 1071 > > Fatal e

[gmx-users] add new residue in OPLS-aa ff

2012-02-27 Thread nana gomez
Dear Justin and All Right now, I am trying to add new residue in OPLS-aa ff when I make the following grompp -f file.mdp -c file.gro -p file.top -o file I have the following error > > Program grompp, VERSION 4.5.2 > Source code file: toppush.c, line: 1071 > >

[gmx-users] RE: add new residue in OPLS-aa ff

2012-02-27 Thread nana gomez
Dear Justin and All Right now, I am trying to add new residue in OPLS-aa ff when I make the following grompp -f file.mdp -c file.gro -p file.top -o file I have the following error > > Program grompp, VERSION 4.5.2 > Source code file: toppush.c, line: 1071 > > Fatal e