AMBER Archive (2005)

Subject: AMBER: leap single precision

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Thu Apr 07 2005 - 13:04:20 CDT

Hi, all

Has anyone created a single precision version of leap? I have a large
system to work on. The double precision leap couldn't handle it with a
4GB memory machine. I managed to compile leap with all "double" replaced
with "float". Leap runs, but it seems it is having trouble reading
frcmod files. I put back the original fortran.[ch], but it didn't solve
the problem. Can someone show me how to safely turn leap into single
precision? Thanks in advance.

Guanglei
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