Dear all,
I was running mm-pbsa calculations on a protein-ligand complex and the job
terminated in a particular snapshot giving the error: PB Bomb in epsbnd(): No
neighbor found for exposed boundary grid 76 110 25
I searched the archive to fix the error using bugfix4 in Amber8. But after
applying the patch when i am trying to re-compile it it gives lots of error as
following and the recompilation is aborted.
In file pb_force.f:149
module poisson_boltzmann
1
Error: Non-numeric character in statement label at (1)
In file pb_force.f:149
module poisson_boltzmann
1
Error: Unclassifiable statement at (1)
In file pb_force.f:153
real (kind=8), parameter :: pbkb = 1.3807D-23 / 1.6606D-27 / (1.00D+
1
Error: Non-numeric character in statement label at (1)
In file pb_force.f:153
real (kind=8), parameter :: pbkb = 1.3807D-23 / 1.6606D-27 / (1.00D+
1
Error: Unexpected array reference at (1)
In file pb_force.f:154
real (kind=8), parameter :: fioni = 6.0220D+23 / 1.00D+30
1
Error: Non-numeric character in statement label at (1)
In file pb_force.f:154
real (kind=8), parameter :: fioni = 6.0220D+23 / 1.00D+30
1
Error: Unexpected array reference at (1)
In file pb_force.f:155
real (kind=8), parameter :: fiono = 1.0D0 / fioni
1
Error: Non-numeric character in statement label at (1)
In file pb_force.f:155
real (kind=8), parameter :: fiono = 1.0D0 / fioni
1
Error: Unexpected array reference at (1)
In file pb_force.f:156
real (kind=8), parameter :: eps0 = 8.8542D-12 / (1.6022D-19)**2 / (1
1
Error: Non-numeric character in statement label at (1)
In file pb_force.f:156
real (kind=8), parameter :: eps0 = 8.8542D-12 / (1.6022D-19)**2 / (1
1
Error: Unexpected array reference at (1)
Fatal Error: Too many errors, aborting.
So what should i do. Please help urgently.
Thanks a lot in advance.
Sincere Regards
Moitrayee Bhattacharyya
Molecular Biophysics Unit
Indian Institute of Science
India.
--
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.
-----------------------------------------------------------------------
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 Fri Oct 24 2008 - 05:07:14 PDT
