Hi Quy,
I encourage you to send MTK++ and MCPB questions to the Amber mailing list. That way, you may receive faster assistance, since several MTK++ developers and knowledgeable users monitor that list. Also, the answers go into a searchable archive that others may benefit from.
My answers follow below.
On 18/4/2011, at 11:08 a.m., Vo Cam Quy wrote:
> Thank you very much for your information. We installed the AmberTools1.5 and have searched the UserManual of AmberTools here
> http://ambermd.org/doc11/AmberTools.pdf
OK!
> In Section 4.6 MCPB, it is said that: "Full details of a metalloprotein parameterization procedure using MCPB can be found in section 15.10 of the user manual." but there is no section 15.10 (also in Amber11 user manual). In which section did you mean?
You need the MTK++ manual, $AMBERHOME/doc/MTKpp.pdf.
> By the way, on the Manual of MTK++, I found the part of Section 12, Metal Center Parameters Builder and start to confuse.
MCPB is part of MTK++, and is, as you say, described in section 12. But usage instructions are given, by way of example, in subsection 15.10.
> Finally. what I have to do is:
> - install both AMberTools1.5 and MTK++ or just one of them?
Just AmberTools 1.5. MTK++ is included with AmberTools 1.5.
> - to build up a myZN.lib, in which section I have to follow?
Try following the examples in subsection 15.10, making any changes that are needed for your system. Please feel free to contact the mailing list again if you have questions or problems connected with specific steps.
Regards,
Ben
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Received on Mon Apr 18 2011 - 09:00:07 PDT
