AMBER Archive (2009)

Subject: Re: [AMBER] test/amoeba - forrtl: severe (64): input conversion error

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Apr 07 2009 - 15:41:21 CDT

On Tue, Apr 07, 2009, Tomasio, Susana wrote:
>
>
> Sorry, but basically what I am not understanding is the relation between
> Run.amoeba and Run.amoeba_sol and the files that I need to run the
> simulation. Can I just start with the file jac_2.pdb and create the
> box, solvate, save the amoeba parameters and then run a simulation with
> sander?

Yes, what you describe is supposed to work, and the reason for your
failure needs to be tracked down.

As Wei suggested, try running Run.amoeba_sol, and using the hpv files it
creates in a sander run. Knowing whether or not that works should help
narrow down the source of your problems.

...thx...dac

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber