AMBER Archive (2009)
Subject: Re: [AMBER] sqm x mopac in AmberTools 1.3
From: Alan (alanwilter_at_gmail.com)
Dear Prof. David,
I tried to modify line 555 in amber11/src/antechamber/charge.c to :
recompiled everything again, and tested, but no file 'sqm.pdb' showed up.
Is there something else I can do?
Thinking aloud, I am afraid that routine 'wpdb_optimized' may not know well
Many thanks in advance,
On Wed, Dec 23, 2009 at 03:50, David A. Case <case_at_biomaps.rutgers.edu>wrote:
> The final coordinates are in the sqm.out file. You could also uncomment
-- Alan Wilter Sousa da Silva, D.Sc. PDBe group, PiMS project http://www.pims-lims.org/ EMBL - EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK +44 (0)1223 492 583 (office) _______________________________________________ AMBER mailing list AMBER_at_ambermd.org http://lists.ambermd.org/mailman/listinfo/amber