AMBER Archive (2002)

Subject: mol2 file format in the future of amber

From: M. L. Dodson (bdodson_at_scms.utmb.EDU)
Date: Fri Sep 20 2002 - 09:41:02 CDT

I have seen sporadic references to the use of the mol2 file format in
amber future development (in place of prep and frcmod files, IIRC).
Would anyone be able to furnish a paragraph or so of explanation of how
this would work? I do some special residue description development for
my work, and would like to make sure the scripts, etc. I write will not
need to be rewritten for the next version. For example, is there/will
there be a "prep2mol2" program available (other than the capabilities
built into antechamber or tleap)? Does this question even make sense?
:-)

Bud Dodson 

-- 
M. L. Dodson                                bdodson_at_scms.utmb.edu
409-772-2178                                FAX: 409-772-1790