Hello everyone,
>From the manual of AmberTools1.2, I get information of respgen.
"
Usage: respgen -i inputfile (ac)
"
So, If I want to run respgen, I must prepare the ".ac" file for input file. But what's the format of ".ac" and how do generate it?
In additions, I found the antechamber's tutorial(
http://ambermd.org/antechamber/pro4.html):
"respgen -i pro4a.mol2 -o pro4-step1.respin -f resp1"
"respgen -i pro4a.mol2 -o pro4-step2.respin -f resp2"
This is not produce the correct result for "pro4-step1.respin" by using "*.mol2", so it maybe need the ".ac" format file, or the tutorial is wrong?
How do I generate the file of "Pro4.crg"?
I could not finish this tutorial(
http://ambermd.org/antechamber/pro4.html) by Amber10. Could you give me an advice as soon as possible?
Thanks
Aurum
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Received on Fri Feb 05 2010 - 07:30:03 PST
