Ok problem solved. Sleap now ignores the optional features of mol2
files.
Thanks
-----Original Message-----
From: case [mailto:case.biomaps.rutgers.edu]
Sent: lundi 4 juillet 2011 15:15
To: amber.ambermd.org
Subject: [AMBER] using sleap to load mol2 files
Guenegou, Guillaume wrote:
> As you may know, somes features can be added to a mol2 file created
> with sybyl. There are some classical features such as those beginning
> with .<TRIPOS>MOLECULE or .<TRIPOS>ATOM. And there are some optional
> features (.<TRIPOS>SET or .<TRIPOS>NORMAL).
> These optional blocks are not a problem for tleap, but with sleap I
> got the following message: Unknow sybyl keyword <TRIPOS>NORMAL Or
> Unknow sybyl keyword <TRIPOS>SET
> Then sleap stops.
Please see the attached bugfix, let us know if you see problems.
...thanks for the report...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 09 2011 - 08:00:03 PDT
