From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Mon Jan 19 2009 - 05:27:27 CST
Hello NAMD community,
I gather from a previous conversation that the NAMD code uses double
precision. However, can the code be compiled as a single precision version?
And if so, has anybody compared results and found serious deviations between
the single and double precision results for any system?
Some information would be appreciated.
Thanks,
Neelanjana
-- ~~~~~~~~~~~~~~~~~~~~ Neelanjana Sengupta, PhD Physical and Materials Chemistry Division National Chemical Laboratory Dr. Homi Bhaba Road Pune 411008, India Phone: +91-20-2590 2087 ~~~~~~~~~~~~~~~~~~~~
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