Single vs. Double precision

From: Neelanjana Sengupta (
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.

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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