<div>Sorry MDS means MD simulation</div><div>the commands are as follows<br></div><div><br></div><div>>tpbconv -s md.tpr -f md_traj.chk.trr -o md_01.tpr -until 1000</div><div>this shows last step before crashing and starts from there until 1000</div>
<div><br></div><div>then</div><div><br></div><div>>mdrun -s md_01.tpr -o md_traj_01.trr -c minim_water.gro -g md.log -e minim_ener_01.edr</div><div><br></div><br><div class="gmail_quote">On Tue, Apr 20, 2010 at 7:50 PM, XAvier Periole <span dir="ltr"><<a href="mailto:x.periole@rug.nl">x.periole@rug.nl</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im"><br>
On Apr 20, 2010, at 9:14 AM, Bharath.K wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hello all....<br>
i got a system crash at some steps..<br>
after creating the new .trr file using command tpbconv<br>
</blockquote></div>
trr file with tpbconv? you mean tpr?<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
and running MDS<br>
</blockquote>
what is MDS?<div class="im"><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
by mdrun command the approximate finishing time is not showing.....<br>
and also a warning is showing as<br>
<br>
WARNING: this run may generate approximately 4583292 Mb of data....<br>
</blockquote></div>
That is a bit enormous<div class="im"><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
is there any changes that i should do while giving the command and can i continue with this warning.....<br>
</blockquote></div>
Which exact command did you use?<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
<br>
-- <br>
Bharath.K<br>
Ph-9535629260<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Bharath.K.Chakravarthi<br>Ph:9535629260<br>