[gmx-users] HI

pavan payghan pavanapex at gmail.com
Thu Jan 28 13:51:54 CET 2010

    I have to recreate .gro file from .trr file by using trjconv which i
have deleated previously for disk  space reasons ,  im using following
commond for that

            trjconv -f full.trr -s full.tpr -o fullout.gro .

   so my question is will this commond give me the same gro file that it was
previously or it may variate
    or any changes that u suggest in the given commond.

    my second question is regarding g_rms,
    i created the .xvg for  g_rms , the grph shows  it has  continous run
for molecule with some peaks in  between why is it so as im doing analysis
for the first time i dont know what does this indicates .
 is it because  the molecule is jumping across the box ? so that more rmsd
at that place
  ,i think by using -nojump i can do this  ?
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