[gmx-users] pdb2gmx - gromacs 3.2

[Jay Mashl]

You can actually choose the force field by using the -ff option, e.g.,

pdb2gmx -ff G43a2 -f file.pdb -o file.gro

Jay
---
Jay Mashl
Computational Biology
Natl Ctr for Supercomputing Applications/
  Beckman Institute
University of Illinois


On Mon, 16 Feb 2004, Peter Zoon wrote:
> I had the same problem, just copied the file from a previous version
> seems to work fine me
>
> Cheers
> Peter
>
> >The pdb2gmx command gives the following result:
> >
> >Fatal error: Library file FF.dat not found in current dir nor in default
> >directories.
> >(You can set the directories to search with the GMXLIB path variable.)
> >
> >
> >But the 'locate' command doesn't find any FF.dat file installed. The
> >installation process seems to be sucessful so I don't understand. Any
> >sugestions??
> >
> >Thanks
> >Herbert
> >
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