[AMBER] mm-pbsa receptor and ligand masking

From: Workalemhu Berhanu <wberhanu.mail.ucf.edu>
Date: Thu, 18 Feb 2010 16:26:03 -0500

Dear amber users

I am trying to calculate the binding energy between a peptides receptor and a peptide ligand.
My receptor is the residues 1-37 and 75-111 and my ligand is a residue 38-74
I tried a receptor mask =:1-74, 112-185 and ligand mask=:75-111.
I got the error message
Warning: Input error! "112-185 ligand_mask=:75-111" is an invalid option.
5-mer_md1.mdcrd: Permission denied.
Would you please help me in finding what is wrong on my receptor mask and ligand mask? I am using the new Python Version and its is installed and tests performed as in the tutorial 3

Thank you
Workalemahu


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Received on Thu Feb 18 2010 - 13:30:03 PST
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