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AMBER Archive (2000)Subject: Problems using IBELLY in AMBER6
From: Marios Philippopoulos (mphilip_at_sickkids.on.ca)
Hello everyone,
I have run into problems when trying to use IBELLY in a minimization
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Steepest-Descents minimization of the solvent (solutes are kept fixed):
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In the output file I get the following messages (end of file shown):
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LOADING THE BELLY ATOMS AS GROUPS
----- READING GROUP 1; TITLE:
rfree: End of file on unit 5
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Thank you for any advice.
Sincerely,
Marios Philippopoulos
-- Marios Philippopoulos, PhD Structural Biology and Biochemistry Programme Hospital for Sick Children 555 University Avenue Toronto Ontario Canada M5G 1X8
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