[AMBER] How to Simulate Monoclinic crystal packing arrangement.

From: srilaxmi reddy <srilu.reddy3.gmail.com>
Date: Mon, 1 Jun 2015 15:25:20 +0530

Hello all,
i want to simulate bulk no.of febuxostat molecules in monoclinic crystal
packing arrangement using AMBER12 for MD run.. can anyone please suggest me
how to do it.. here i am attaching the cif file of febuxostat methanol
Note: I would be deleting methanol solvate for Simulation..only Febuxostat
structure is used

Any suggestions would be of great help

Tetala Srilaxmi
Dept. of Pharmacoinformatics
NIPER, S.A.S. Nagar, Mohali
Email.id: srilu.reddy3.gmail.com

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Received on Mon Jun 01 2015 - 03:00:03 PDT
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