AMBER Archive (2000)

Subject: Parm98 parameters

From: Simon Cross (pcxsc_at_nottingham.ac.uk)
Date: Fri Oct 20 2000 - 03:57:10 CDT


Can anyone tell me where/how to get hold of some Parm98 bond parameters
for:

P - CA (phosphorus - aromatic carbon) and
CA - OS (aromatic carbon - ether oxygen)

as I am trying to do some MD with an aromatic phosphonate and am new to
AMBER/xleap

Cheers,

-----------------------------------------

Simon Cross
School of Chemistry
University of Nottingham
tel. 0115 9514193
Email: pcxsc_at_nottingham.ac.uk