AMBER Archive (2006)

Subject: Re: AMBER: error estimate for free energy perturbation calculation

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Wed Oct 25 2006 - 15:34:42 CDT

Dear all,

I want to do MD simulation of a phosphorylated
protein. Will you please tell me from the
unphosphorylated protein, how can we get the
coordinate file of the phosphorylated protein? And
then how can we get the parmtop and inpcrd files?

Best regards.

Fenghui Fan

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