Re: AMBER: saveamberparams error in Amber9

From: Thomas Steinbrecher <>
Date: Wed, 14 Jun 2006 08:07:28 -0700 (PDT)

Hello Weihua,

although you added them to your frcmod file, leap still doesn't find the
types you added for the heme residue.

are you sure that NP,NO,CX are included via addatomtypes{} in your
leaprc.ff03? Maybe somebody added them to amber8 but then installed the
new version and didn't include the additional types there.

Do diff amber9/dat/leap/cmd/leaprc.ff03 amber8/dat/leap/cmd/leaprc.ff03

and see if there is a difference.

Also check if you also added van der waals parameters for the new types.


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Jun 18 2006 - 06:07:08 PDT
Custom Search