[gmx-users] about double precision gromacs run

protim chakraborti protimster at gmail.com
Sat May 14 10:11:50 CEST 2005


I want to run gromacs with double precision. Usually it is done by
setting the constraints to "none". But my question is that how do i
know that it is being run in double or single precision?

Moreover I am trying to make Gromacs identify DNA molecules, by
changing the building blocks, like "A" to "DADE" and so on. But it is
getting stuck. I am trying to do sort it out. I want to know whether I
need to write a new .hdb and .rtp file and include them in the

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