AMBER Archive (2007)

Subject: Re: AMBER: how to combine two molecules

From: David A. Case (case_at_scripps.edu)
Date: Mon Aug 13 2007 - 11:43:57 CDT

On Sat, Aug 11, 2007, Wenyong Tong wrote:
>
> Could not find bond parameter for OS-c3
> Could not find angle parapeter: OS-c3-h1
> OS-c3-h1
> OS-c3-c3
> CG-OS-c3

It looks like you are mixing gaff and Amber atom types. You will need to
generate these parameters by hand, probably by analogy with similar parameters
in either gaff itself or Amber itself.

...good luck...dac

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