[gmx-users] converting cpt between single and double precision

Peter C. Lai pcl at uab.edu
Tue Aug 16 22:13:56 CEST 2011

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.)

Peter C. Lai			| University of Alabama-Birmingham
Programmer/Analyst		| BEC 257
Genetics, Div. of Research	| 1150 10th Avenue South
pcl at uab.edu			| Birmingham AL 35294-4461
(205) 690-0808			|

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