AMBER Archive (2006)

Subject: Re: AMBER: lib file

From: snoze pa (snoze.pa_at_gmail.com)
Date: Fri Feb 03 2006 - 13:32:39 CST

Hi Ilya and Amber community,
thanks a lot for your help. I am able to fix so much in my system. But when
I am loading HEM prameter, it is giving me following message.
Any idea about this. How can recover from this message. Is it because of
ATOM in my PDB and HEME parameter file or something else.

Could not find bond parameter for: SH - FE
Checking for angle parameters.
Could not find angle parameter: HS - SH - FE
Could not find angle parameter: SH - FE - NP
Could not find angle parameter: SH - FE - NO
Could not find angle parameter: SH - FE - NP
Could not find angle parameter: SH - FE - NO
Could not find angle parameter: CT - SH - FE
There are missing parameters.
check: Warnings: 40

thanks in advance
snoze

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