AMBER Archive (2000)

Subject: DHFR - MTX

From: Eoin Galligan (paxeg_at_unix.ccc.nottingham.ac.uk)
Date: Wed Mar 15 2000 - 09:17:45 CST


Hello
I am a new user to AMBER,and am trying to pull the ligand Methotrexate out
of the
DHFR binding pocket. My first problem is the parameterisation. Does anyone
know of any parameterisation for MTX? Any other advice gratefully
received!

With Regards, Eoin Galligan

tel: 0115 9515151 ext 66272
mobile: 07968 349629
mobile email: eoingalligan_at_sms.genie.co.uk

Laboratory of Biophysics and Surface Analysis,
Institute of Pharmaceutical Sciences,
Nottingham University,
University Park,
Nottingham,
NG7 2RD,
UK