Hello,
I am trying to run the Stability example for MM_PBSA. Whenever I run
the script, I have numerous lines stating various "Illegal character in
prototype for mm_pbsa_statistics:..."
My input parameters are then read in and then it starts running:
=>> Checking sanity
Checking GENERAL
Checking MM
Checking DELPHI
Checking GB
Checking MS
=>> Creating input
Sander input
Delphi input
=>> Calculating energy / entropy contributions
=>> Doing statistics
=>> Values of global variables
TEMP = 300
R = 8.314
gammaP = 0.00542
betaP = 0.092
gammaG = 0.0072
betaG = 0.00
=>> Reading input
=>> Reordering files
Final order:
1. ras_raf_II_wt_com.all.out: -
=>> Reading files
Reading ras_raf_II_wt_com.all.out
=>> Treat special parameters
Can't use an undefined value as an ARRAY reference at
/usr/local/amber7/src/mm_pbsa/mm_pbsa_statistics.pm line 1234.
The program then quits and the output does not have any of the energies.
I saw on the archive that this happens when certain ions are not
parameterized, and I see that there is a Mg ion in the prmtop file. Why
would the example not work?
Thank you,
Jory Zmuda
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Received on Thu Oct 09 2003 - 21:53:01 PDT
