<HTML><body><P> Hello,everyone</P>
<P> I am trying to simulate the pulling process of a protein by Gromacs 3.2.0. However, when executing the command "mdrun -v -s pull.mdp -o pull_1.tpr -c afterpull -pi pull.ppa -pn pull.ndx", the program only back off the pullout.ppa and pull.pdo with no computing done. <BR> I don't know what's the reason. Is there some problem with my pull.ppa file? Content of the file is:<BR> verbose = no<BR> runtype = afm<BR> group_1 = Pull_C<BR> reference_group = Pull_N<BR> reftype = com<BR> pull_dim = N N Y</P>
<P> afm_rate1 = 0.001 <BR> afm_k1 = 1000<BR> afm_dir1 = 0.0 0.0 1.0<BR> afm_init1 = 0.0 0.0 0.0<BR> Thanks for any message.<BR></P></body></HTML><br>
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