Dear AMBER group,
I am practicing on MM-PBSA calculation using AMBER10 following the AMBER
ADVANCED TUTORIALS-TUTORIAL 3: MM-PBSA.
http://amber.scripps.edu/tutorials/advanced/tutorial3/index.htm
I got the following error message when I was at step 3
($AMBERHOME/exe/mm_pbsa.pl binding_energy.mmpbsa > binding_energy.log):
No data for 0+0 PB ELRAELE 0
Attachment is the log file of this step.
Then I tried to run $AMBERHOME/exe/mm_pbsa_statistics.pl calc_delta 1
calc_decomp 0 snapshot_statistics.in > test.log. But I get the message
"calc_decomp not opened". And the log file shows:
=>> Values of global variables
TEMP = 300
R = 8.314
gammaP = 0.00542
betaP = 0.92
gammaG = 0.0072
betaG = 0
=>> Reading input
I found nothing refers to "calc_decomp not opened" in the archive.
Could some one help me figure our what my problem is? Any hint is highly
appreciated. Thanks!
Best,
Wei
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Wed Jul 02 2008 - 06:07:25 PDT
