[AMBER-Developers] Fwd: sleap help

From: InSuk Joung <i.joung.gmail.com>
Date: Thu, 25 Mar 2010 14:10:21 -0400

I posted this while ago but I guess sleap developers missed this.
Sleap developers, please see the problem below. Thanks!

---------- Forwarded message ----------
From: InSuk Joung <i.joung.gmail.com>
Date: Thu, Mar 4, 2010 at 5:55 PM
Subject: sleap help
To: amber.ambermd.org


Hi,

If I run with tleap, I don't have any problem.
$ tleap -f leap.in
..

With sleap, I get following errors.
$ sleap -f leap.in
...
Warning: there is an atom in residue WATA17 which does not exist in the
model 3!
         This atom will not be created.
Warning: there is an atom in residue WATA18 which does not exist in the
model 3!
         This atom will not be created.
Warning: there is an atom in residue WATA19 which does not exist in the
model 3!
         This atom will not be created.
Warning: there is an atom in residue WATA20 which does not exist in the
model 3!
         This atom will not be created.
Warning: there is an atom in residue WATA21 which does not exist in the
model 3!
         This atom will not be created.
Warning: there is an atom in residue WATA22 which does not exist in the
model 3!
         This atom will not be created.

Please try with the attached files.

-- 
Best,
InSuk Joung
-- 
Best,
InSuk Joung




_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers


Received on Thu Mar 25 2010 - 11:30:04 PDT
Custom Search