Re: [AMBER] mol2 files for FEW

From: David A Case <>
Date: Wed, 17 Apr 2019 08:06:50 -0400

On Wed, Apr 17, 2019, Zhonghua Xia wrote:
>I want to use FEW to expediently batch processing ligands. But I got into
>trouble at the very beginning (using the command file leap_am1). The
>problem is no matter which tool I use to convert my ligands’ file to mol2
>format, FEW just can’t recognise it. Even though I use sdf files, it
>can’t recognise it either. The tools I tried are Maestro, Babel and VMD.

It would be great if you could post one of the mol2 files that failed,
plus the exact error message.


AMBER mailing list
Received on Wed Apr 17 2019 - 05:30:02 PDT
Custom Search