> -Original Message-
> From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org]
> On Behalf Of Rolf Erwin Isele-Holder
> Sent: 15 May 2009 09:12
> To: gmx-users@gromacs.org
> Subject: [gmx-users] pdb2gmx does not recognize residues
>
> Hello everybod
H
I think this a problem of bad format of your pdb file.
What is happening is that your CH4 is not in the right position, in the
pdb file, so pdb2gmx are just reading the letter C from your CH4.
Check carefully the pdb file format. You can try to remove two empty
spaces between ATOM and the residu
Hello everybody,
I'm trying to set up a box with methane. Therefore I wrote a small pdb file
which looks like this:
ATOM 1 CH4CH4 11.0 1.0 1.0 1.0 0.0
ATOM 2 CH4CH4 20.5 0.5 0.5 1.0 0.0
ATOM 3 CH4CH4 3
3 matches
Mail list logo
