On Fri, Dec 18, 2009, Mark M Huntress wrote:
> Hi, I am trying to parameterize a molecule (protonated, positively
> charged retinal) and I am getting the following error when I put in the
> following input:
I'm not sure we can help much without seeing your input files. But try this:
does your molecule run OK in the more "standard" of having a pdb file as
input, and mol2 as output (with either no charges or bcc charges)?
That would help see if the problem is in parsing the rt.log file; also, if you
post a pdb file, users on the list can more easily see if they spot any
problems.
...dac
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Received on Sat Dec 19 2009 - 10:00:03 PST
