AMBER Archive (2005)

Subject: AMBER: generate charmm paramater file from amber parm file

From: HL Eastwood (s0237717_at_sms.ed.ac.uk)
Date: Wed Feb 16 2005 - 11:19:56 CST

Dear amber users

I have an amber derived pdb file and corresponding amber paramater file. Is it
possible for me to generate a charmm parameter file from this data?

An entry in the amber archive posted by Roass Walker suggests using ptraj:

"...you would want the following input file for ptraj (for amber to charmm):

trajin inputtrajectory.traj.gz
trajout outputtrajectory charmm "

I have done this and it generates a binary trajectory file for charmm. However,
I still require the paramater file. Any suggestions on how to get this?

thanks

Hayden Eastwood
Perdita Barran Reasearch Group
Edinburgh University
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