________________________________
From: Chandrasekaran, Suryanarayanan [s.chandrasekaran.jacobs-university.de]
Sent: Monday, December 10, 2012 1:01 PM
To: amber.ambermd.org
Subject:
HI
I need to create .prmtop file for a metal complex residue for bacteriochlorophyll(BCL) complex present in FMO protein, but i got the .prmtop file from another group and they asked us to use protein pdb file insted of .inpcrd file and its working fine for us in "namd", but i need to create .prmtop for the sigle residue BCL. is it possible to extract .prmtop files for a residue from a complete protein .prmtop file. but i dont have .inpcrd insted i have only .pdb file for whole system and for that residue.
otherwise is it possible to create .lib file for that residue from full protein .prmtop file.
thank you
surya
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 10 2012 - 04:30:02 PST
