You can use MTK++ in AMBER to produce parameters you need.
nalini chauhan <nalinichauhan.05.gmail.com>编写：
>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:
>
>Message rejected by filter rule match
>
>
>
>---------- 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 - 23:30:03 PST
