Dear David A Case
The .lib file is not attched instead I pasted on email body.
Thank you..
On Mon, Feb 23, 2015 at 7:17 PM, David A Case <case.biomaps.rutgers.edu>
wrote:
> On Mon, Feb 23, 2015, Garisekurthi Satheesh wrote:
> >
> > I am Satheesh, new to AMBER. I have used tleap(amber11) for generating
> > protein ligand complex *.prmtop and *.incrd for MD simulations. I have
> > errors from ligand atom types from protein ligand complex.
> > I don’t know how to solve the mentioned problem.
>
> My best guess: the ligand file uses the GAFF force field, but it doesn't
> look like you ever included a "source leaprc.gaff" command in your tleap
> script.
>
> [The reason I have to guess: you didn't include the files you used: the
> tleap
> script loads a "LIG.lib" file, but that was not attached to your email.]
>
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 23 2015 - 21:30:03 PST
