On 17/08/2011 6:13 AM, Peter C. Lai wrote:
Is there a way to convert between single and double precision cpt files so
I can use double precision grompp on it to change some parameters but still
keep state information for continuity?
Or can I just trjconv_d the last frame of the single precision trr and feed
that to grompp -t?
(A machine I am using for preprocessing only has double precision tools and
it would be difficult to have both versions installed.)
Any GROMACS tool can read any of its binary formats written in either
precision, and write only in the precision with which the tool was compiled.
Mark
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