[AMBER] sleap/tleap mol2 features

From: Guenegou, Guillaume [ORDFR] <GGUENEGO.ITS.JNJ.com>
Date: Tue, 28 Jun 2011 11:03:46 +0200

Dear all,

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.


Is it a reported bug of sleap?

This problem is a pity because I have to delete these blocks in my files
before loading them in sleap.

Regards,
G.GUENEGOU

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Received on Tue Jun 28 2011 - 02:30:03 PDT
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