Re: [AMBER] ligand_preparation_general_rule

From: David Case <>
Date: Wed, 3 Oct 2018 11:40:13 +0000

On Wed, Oct 03, 2018, Antonio Amber Carlesso wrote:

> > *3E4 = loadmol2 kira.mol2*
> Error: Error from the parser: syntax error

Looks like we have a parser problem, where variable names cannot start with
digits. Simplest solution would be to modify the loadMol2 action, so that it
takes the name of the unit from the file itself (as is the case for loadOff),
rather than requiring it to be specified on the command line, as above.


The very kludgy workaround is to edit the unit name to begin with a letter.
Maybe people on the list have better ideas.


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Received on Wed Oct 03 2018 - 05:00:01 PDT
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