Respected Sir,
I have been working on the MD simulation of a Dimeric protein containing
Zinc ions. I was trying to simulate its monomer which contains single zinc
ion. I have gone through TUTORIAL A1 Old: Building your own Custom
Residues ,described in AMBER, but after creating .lib file I am confuse
regarding specifying the atom types and charges. I was working on RED
server but I am still not getting how to get QM file for my ion bounded
residues.
It will be great if you could just tell me where am I wrong or what
procedure to follow.
Thanks.
Regards,
Nalini
---------- Forwarded message ----------
From: <amber-owner.ambermd.org>
Date: 15-Feb-2014 8:35 AM
Subject:
To: <nalinichauhan.05.gmail.com>
Cc:
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---------- Forwarded message ----------
From: nalini chauhan <nalinichauhan.05.gmail.com>
To: amber.ambermd.org
Cc:
Date: Sat, 15 Feb 2014 08:35:14 +0530
Subject:
Respected Sir,
I have been working on the MD simulation of a Dimeric protein containing Zinc
ions. I was trying to simulate its monomer which contains single zinc ion.
I have gone through TUTORIAL A1 Old: Building your own Custom Residues
,described
in AMBER, but after creating .lib file I am confuse regarding specifying
the atom types and charges. I was working on RED server but I am still not
getting how to get QM file for my ion bounded residues.
It will be great if you could just tell me where am I wrong or what
procedure to follow.
Thanks.
Regards,
Nalini
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Received on Sat Feb 15 2014 - 23:00:03 PST
