Dear Dr. David Case,
Thanks for the reply...I have fixed that problem...
i am doiong the the binding free energy calculation for another ligand...
when i run :
mm_pbsa.pl binding_energy.mmpbsa > binding_energy.log
i get the following error:
/opt/amber10/exe/sander -O -i sander_com.in -o sander_com.1.out -c
/home/bharatam/amberresults_w/amberresults_ligand/snapshot_com.crd.1 -p
/home/bharatam/amberresults_w/amb31/prot_lig.prmtop not successful
how can i fix this one?
thank you
________________________________
From: David A. Case <case.biomaps.rutgers.edu>
To: AMBER Mailing List <amber.ambermd.org>
Sent: Wednesday, 3 June, 2009 5:13:54 PM
Subject: Re: [AMBER] Error in MM PBSA
On Wed, Jun 03, 2009, Vikas Sharma wrote:
>
> if i need to do only bugfix21 then....should i copy the whole file to
>
> amber10/src/mm_pbsa/molsurf.c and run as:
If you only want to apply bugfix.21, then just download the bugfix.21 file.
Note that patch files are human-readable -- you can edit the files by hand if
you have difficulties with patch.
...dac
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Received on Thu Jun 04 2009 - 01:09:45 PDT
