Re: [AMBER] Cannot read parm file tprmtop

From: Lixia Jin Day <ljin12.asu.edu>
Date: Wed, 20 Jan 2010 11:30:46 -0700

Worked well this time.
Thanks a lot!

-Lixia

On Wed, Jan 20, 2010 at 11:00 AM, case <case.biomaps.rutgers.edu> wrote:

> On Wed, Jan 20, 2010, Lixia Jin Day wrote:
>
> >
> > mi = bdna("gcgc");
> > putpdb("temp.pdb", mi);
> > m=getpdb_prm("temp.pdb", "leaprc.ff94SB","",0);
> ^^^^^^^^^^^^^^^
>
> OK. The error is coming from the getpdb_prm() call. You probably can see
> errors in your tleap.out file.
>
> There is indeed a typo in the Users' Manual: "leaprc.ff94SB" should be
> "leaprc.ff99SB". Try making that change.
>
> We will update the Users' Manual and post a patch...thanks for pointing
> this
> out.
>
> ...dac
>
>
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>



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Received on Wed Jan 20 2010 - 11:00:03 PST
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