On Mon, Jun 24, 2013, Jose Borreguero wrote:
>
> I have minimized a structure in vacuum and now I want to compute its normal
> modes. I want to use the 'nmode' command line tool, but I don't know what
> control parameters do I have to pass in the "nmdin" file. I have tried to
> find these in the Amber user's guide and AmberTools, with no luck.
We no longer support (or recommend the use of) nmode. Instead, you should use
the nmode() function in NAB. See the manual for details; sample driver codes
(the functional equivalent of the old nmode code) are here:
$AMBERHOME/AmberTools/test/nab/asp_nm{1,2,3}.nab
..good luck...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 25 2013 - 05:00:03 PDT
