AMBER Archive (2008)

Subject: AMBER: ANTECHAMBER NAMING

From: Shozeb Haider (shozeb.haider_at_pharmacy.ac.uk)
Date: Thu Jan 10 2008 - 15:19:18 CST

Hi

I am trying to simulate a modified pentapeptide. On running antechamber
the -rn flag labels the entire pentapeptide as single unit (MOL
default). When I then load it in xleap and set up the system it is only
recognised as one long molecule. In other words, the peptides do not
retain their name labels. Is there some way one can prevent antechamber
from adding in the name label ? or allow it to use the original labels.

Any suggestions would be much appreciated.

Best wishes

Shozeb Haider
The London School of Pharmacy
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu