[gmx-users] PMF with the pulll code
George Patargias DPhil
GEORGEP at biop.ox.ac.uk
Wed May 21 13:57:01 CEST 2003
Sorry if you got this message twice. I am using the GROMACS pull code
trying to reconstruct the PMF of a small molecule through a membrane
transporter. I have data from an AFM type of calculation but I am
wondering how could I get the PMF out of them? Is there any relevent
gromacs analysisi program?
Is the umbrella type of calculation of the pulling code any more
advantageous in this respect?
Thanks in advance
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