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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Received on Wed Jan 20 2010 - 10:30:02 PST
