[gmx-users] PMF with the pulll code

George Patargias DPhil GEORGEP at biop.ox.ac.uk
Wed May 21 13:57:01 CEST 2003

Hi all

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
George Patargias

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