AMBER Archive (2004)

Subject: AMBER: ptraj problem

From: Abd Ghani Abd Aziz (ghaniee_at_yahoo.com)
Date: Thu Nov 04 2004 - 19:53:39 CST

Dear amber users,

i have an error message when running ptraj using
amber8. it seems that ptraj cannot read my crd files..
can somebody help me to solve this problem? when i
look at the 1jkmpro3.out i found that there is a
message :

check COM velocity, temp: 0.002752
0.01(Removed)
                                                      
                         
  Unit 16 Error on OPEN: 1jkmpro3.xyz

Could not open file (1jkmpro3.crd) with mode (r)
WARNING in checkCoordinates(): Could not open file
(1jkmpro3.crd)
WARNING in ptrajSetupIO(): trajin 1jkmpro3.crd, cannot
open file...
 
thanx

best regards

Abd Ghani

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