AMBER Archive (2007)

Subject: RE: AMBER: Too big EEL energy in energy minimization. .

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Sep 13 2007 - 11:25:07 CDT

Dear Wang,

> Here is my initial pdb file. Thanks

I was implying that "YOU" should take a look at your starting structure not
expect someone else to do the work for you. - Note you should be looking at
the fully hydrogenated and solvate structure - use ambpdb to make a pdb file
from the prmtop and inpcrd you created in leap.

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|\oss Walker

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| San Diego Supercomputer Center |
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