AMBER Archive (2007)

Subject: Re: AMBER: Question about loadMol2

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Tue Mar 27 2007 - 13:49:25 CST

On Tue, 27 Mar 2007, David LeBard wrote:

> I am having a problem with the loadMol2 command in xleap from Amber version
> 9. Basically, when I try to load a molecule from a mol2 file (generated by
> VMD), I get no errors but the unit is not created. So, whenever I do an
> edit, desc, or check on my unit, xleap says my molecule doesn't exist.
>
> > bph = loadmol2 bph.mol2
> Loading Mol2 file: ./bph.mol2
> Reading MOLECULE named bph
> > check bph
> check: Argument #1 is type String must be of type: [unit molecule residue
> atom]
> usage: check <unit> [parmset]

The loadmol2 command has been used many times.
Please send your bph.mol2 file.

Scott

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu