[AMBER] nmode calculation

From: rameshwar prajapati <rameshwar.niper.gmail.com>
Date: Tue, 19 Oct 2010 12:52:11 +0530

i am using nmode input script as give in tutorial

#####
Input file for running entropy calculations using NMode
&general
   endframe=50, keep_files=2,
/
&nmode
   nmstartframe=5, nmendframe=45,
   nminterval=5, nmode_igb=1, nmode_istrng=0.1,
/
######

but the following error occur

Assuming /usr/local/amber/amber10/bin/sander is part of
amber9 or amber10. Using old PB input file.
Traceback (most recent call last):
  File "/usr/local/amber/amber11/bin/MMPBSA.py", line 732, in <module>
    print >> 'Error: Energy decomposition only works with Amber11 or later
for MMPBSA.py!'
AttributeError: 'str' object has no attribute 'write'



i am working with Amber10 and have installed AmberTools 1.4

please suggest me a solution to this problem


-- 
With regards,
RAMESHWAR PRAJAPATI
DEPT. OF PHARMACOINFORMATICS
NIPER S.A.S NAGAR (MOHALI)
09569089451
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 19 2010 - 00:30:05 PDT
Custom Search