AMBER Archive (2005)

Subject: Re: AMBER: (no subject)

From: David A. Case (case_at_scripps.edu)
Date: Fri Dec 23 2005 - 19:43:28 CST

On Fri, Dec 23, 2005, ping jiang wrote:

> I used Antechamer to
> generate the undecyl-Ala-Leu with -1 charge to get the
> atomtype and charge. I found the whole system had -1
> charge, but the atoms in the undecyl still no charge.

Did you incude the "-c bcc" flag to antechamber? The "-c" flag is used to
specify which charge model you want.

....dac

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