AMBER: Problem of Ptraj in AMBER9

From: Chunhu Tan <tanc.uci.edu>
Date: Tue, 13 Jun 2006 15:24:26 -0700

Hi, All,

   It seems that the ptraj in AMBER9 does not support the output format
"restart". When I specified the output format to "restart", the output
was always with the trajectory format. Could somebody tell me what is
wrong with my ptraj?
   Here is a sample script I used in ptraj:

   trajin gc.crd 1 1
   trajout test restart
   go

Attachments are the parm file and the gc.crd


Best,
Chunhu

 



-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu

Received on Wed Jun 14 2006 - 06:07:19 PDT
Custom Search