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
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- application/octet-stream attachment: leap.in
Received on Thu Mar 25 2010 - 11:30:04 PDT
