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 <br>
<br>
trjconv -f full.trr -s full.tpr -o fullout.gro .<br>
<br>
so my question is will this commond give me the same gro file that it was previously or it may variate <br>
or any changes that u suggest in the given commond.<br>
<br>
my second question is regarding g_rms,<br>
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 .<br>
is it because the molecule is jumping across the box ? so that more rmsd at that place <br>
,i think by using -nojump i can do this ?<br>