[AMBER] how to get frcmod.mod_phipsi.1 for constant pH MD simulation

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Wed, 9 Jun 2010 20:43:29 +0530 (IST)

Hello all

I have to do constant pH MD simulation using amber10 for this there is
requirement of a file:
But in amber10 there is no such any file.

>From where i can get this file?

There are option for editing PDB file for (HIS, HID, or HIE) with HIP,
ASP and ASH to AS4 and all GLU and GLH to GL4, but there are no any option to
change for
LYS and TYR before preparation of prmtop and prmcrd file for constant pH MD

Is there no need to change them or there are some other option?

With regard
Sangita Kachhap

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Received on Wed Jun 09 2010 - 08:30:04 PDT
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