AMBER Archive (2008)

Subject: Re: AMBER: Prepgen

From: Grange Hermitage (ghermitage_at_gmail.com)
Date: Thu Jul 31 2008 - 21:29:45 CDT

Same problem here, have also tried antechamber-1.27 with same result.

> I have had exactly same problems as mentioned by Ojha. I tried to assign
> charges to my modified amino-acid but after using the prepgen, to remove the
> ACE and NME residues, the charge of the center amino-acid was not zero.
>
> I faced the same problem when I followed the antechamber tutorial 2. (on
> page http://amber.scripps.edu/antechamber/pro4.html). After using prepgen
> the charges did not match with the prepi file on the tutorial page. I
> noticed that the charges were not changed from the earlier ac file.
>
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu