A fortran based fragmentizing-docking-remerging program for long peptides (10-16 amino acids) docking simulations.
This program is compiled by intel fortran at OpenSUSE 64-bits. Designed for 4GPU servers.

NOTE: AMBER software packages, AMBER Tools and pmemd.cuda must be normally installed to fully operate this program. However you can still sample massive initial structures (500k~2m peptide conformations) without AMBER.

Reference:
http://pubs.rsc.org/en/content/articlelanding/2017/cp/c6cp07136h

Supporter: JM Liao, tiomiya@hotmail.com

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2017-02-28
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