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<div style="">Hi Amit,<br>
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thanks for the reply. I am using gen_vel = no in my mdp file.but I am wondering why I am getting warning message when I am using "continuation = yes" or "continuation = no ". grompp is not recognizing continuation as parameter.<br>
Am I doing something wrong?<br>
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Thanks,<br>
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<div class="PlainText">--<br>
Vandana Kumari</div>
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<div style="direction: ltr;" id="divRpF382735"><font size="2" color="#000000" face="Tahoma"><b>From:</b> gmx-users-bounces@gromacs.org [gmx-users-bounces@gromacs.org] on behalf of Amit Choubey [kgp.amit@gmail.com]<br>
<b>Sent:</b> Tuesday, May 25, 2010 5:51 PM<br>
<b>To:</b> Discussion list for GROMACS users<br>
<b>Subject:</b> Re: [gmx-users] Restarting after NVT: continuation error<br>
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<div class="gmail_quote">On Tue, May 25, 2010 at 2:32 PM, VANDANA KUMARI <span dir="ltr">
<<a href="mailto:kumari.5@buckeyemail.osu.edu" target="_blank">kumari.5@buckeyemail.osu.edu</a>></span> wrote:<br>
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<div>Hello Gromacs Users,<br>
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I am trying to make tpr file for NPT equilibration after NVT equilibration using <br>
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grompp -f npt.mdp -c nvt.gro -t nvt.trr -p topol.top -n index.ndx -o npt.tpr <br>
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I am using parameter " continuation = yes " in npt.mdp for restarting after NVT, but I am getting this warning massage:
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WARNING 1 [file npt.mdp, line unknown]:<br>
Unknown left-hand 'continuation' in parameter file<br>
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well to continue why dont you use the same velocities ; just say gen_vel = no<br>
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amit <br>
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<div>Please help me with this issue.<br>
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Thank you<br>
--<br>
Vandana<br>
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--<br>
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