Hi:
1st Question: prepin/frcmod (for an organic compound containing
covalent chlorine), coming from Antechamber in AmberTools1.2 are not
accepted by leap:
Atom .R<AA1 ###>.A<CL ##> does not have a type.
I guess that leap expects "Cl" for chlorine.How to arrange so that
Antechamber prepares files accordingly?
========
2nd Related Question: As the protein for the above complex (coming
from work up with Chimera) has atom names with four
characters/numbers, are, for example,
1C21
RH11
accepted by Amber10/AmberTools1.2, or should they be edited to
C211
H11R
as it was the case with Amber9?
Thanks
francesco pietra
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Sun Oct 26 2008 - 05:08:30 PDT
