AMBER Archive (2009)

Subject: Re: [AMBER] antechamber bond type error

• Previous message: Jio M: "[AMBER] SQM and AMBER"
• In reply to: Mark M Huntress: "[AMBER] antechamber bond type error"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

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

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

• Previous message: Jio M: "[AMBER] SQM and AMBER"
• In reply to: Mark M Huntress: "[AMBER] antechamber bond type error"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]