<P>hi</P>
<P>I use gromacs to calculate the force to pull a ligind out of the protein. the pull.ppa file is as follow.</P>
<P> verbose = no<BR> runtype = afm<BR> group_1 = NOJ<BR> reference_group = Protein<BR> reftype = com<BR> reflag = 1<BR> pulldim = N Y N<BR> afm_rate1 = 0.005<BR> afm_k1 = 0.01<BR> afm_dir1 = 0.0 -1.0 0.0<BR> afm_init1 = 0.334 -0.223 0.445</P>
<P>when i change the value of "afm_init1"or " afm_rate1" or " afm_k1" ,the output force in "pull.pdo" file keeps same, yet i think the force should be changed. that is the quiestion.can some give me an explaination ?</P>
<P>thank you very much!<BR><BR><BR></P><BR>
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