Re: [AMBER] How MCPB add ligand with a smallmoleculein*_siderchain.bcl

From: Ben Roberts <ben.roberts.geek.nz>
Date: Mon, 28 Nov 2011 10:57:43 -0500

Hi JiYuan,

On 28/11/2011, at 7:26 a.m., JiYuan Liu wrote:

> I have upload my current BCL script and the original PDB to my attachment, please have a look for them. Thank you.

I see them.

In my previous email, I suggested that you try adjusting the values of your torsional angles, that is the eighth argument to the addFragment command (you can recognise this because it's a number). Have you had a chance to do so?

Regards,
Ben
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Received on Mon Nov 28 2011 - 08:00:03 PST
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