On 10/31/13 3:59 PM, Riccardo Concu wrote:
Dear Xu,
you have to use the make_ndx option if I'm not wrong.
The syntax should be make_ndx -f xxx.gro -o index.ndx
make_ndx is not particularly useful for angles. To get it to recapitulate the
function of mk_angndx, it's as much work as writing the index file by hand.
-Justin
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
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Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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