Re: [AMBER] ZN metal parametrization using MCPB -reg

From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Thu, 8 Jan 2015 11:37:24 -0500

Hi Sarvagalla,

I have modified the input file to make it work. You can check the changes by comparing it to the former input file.

Best,
Pengfei




On Jan 1, 2015, at 8:43 AM, sailu <sai.ktp.gmail.com> wrote:

> Hello Amber users,
>
> I want parameterise the ZN metal, which is coordinated with CCCH (three CYS
> and one HIS residues) residues. I just followed MCPB tutorial. While side
> chain modelling i got errors and unable to fix the problem. Actually, i am
> new to amber. Please help in this regard.
>
> Here, i have attached my pdb file , sidechain.bcl file and log files. Pleas
> don't confuse with my pdb id. Just for convenience i have given 1AMP.
>
> --
> *Sarvagalla sailu,*
> *Ph.D.scholar,*
> *Centre for Bioinformatics,*
> *School of Life Sciences,*
> *Pondicherry University**,*
> *Kalapet,*
> *Puducherry - 605014**,*
> *INDIA**.*
> *Mobile: +91-9963202788,**+91-9943923258*
> <1AMP_OH_fixed.pdb><1AMP_OH_fixed_H.pdb><1AMP_OH_sidechain.bcl><1AMP_OH_sidechain.bcl.log>_______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



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Received on Thu Jan 08 2015 - 09:00:02 PST
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