[AMBER] psf files from cellulose builder

From: Rasha Alqus <rasha.alqus.manchester.ac.uk>
Date: Wed, 1 May 2013 15:59:05 +0000

Dear Amber user,



am going to use a new programme called cellulose builder to build cellulose http://code.google.com/p/cellulose-builder/, and i have some questios:



First the program produce only .pdb and psf file, in order me to use them in amber i need to convert the psf in to

prmtop file, this is writing in the manual ( amber tool12) page 55 using chamber, is this is the correct way for me to follow?





second: how do i converted this pdb into the type suited to the leap of AMBER , which combined the Cartesian coordinate of pdb provided by this program with the atom types and atom sequence defined by AMBER(force field GLYCAM_06)?



Regards
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Received on Wed May 01 2013 - 09:30:02 PDT
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