Re: [AMBER] tleap command

From: case <>
Date: Sat, 23 Nov 2013 16:32:32 -0500

On Sat, Nov 23, 2013, Saeed Nasiri wrote:
> thanks for your suggestion and help. I tried the manual again and I realize
> that the problem is the xleap. it's a bite difficult to draw molecules with
> it.

I agree that it can take some time to get experienced with xleap drawing.
You are welcome to build your molecules (these are very simple ones) in
someother visualization program.

In you last post, the error looked simple--you skipped one of the steps in
the tutorial. You can fix that (nothing to do with xleap) and/or just use the
files that the tutorial provides.

As for the output you posted here, we don't know what the inputs were, so
can't help very much with error messages.

> Could not open file ionicbox.pdb: not found

This error seems pretty clear: find out how you are trying to load that file.

> setBox: Argument #1 is type String must be of type: [unit]

This may(?) be a consequence of earlier errors. Again, without knowing what
you tried to do, we can't help much.


AMBER mailing list
Received on Sat Nov 23 2013 - 14:00:02 PST
Custom Search