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On 22/04/2012 2:02 AM, vineetha mandlik wrote:
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cite="mid:CAErwGFgiyRNWEcKJkb07AwouP+VJbgVYCUDK+f7qXtC0+tcZ+w@mail.gmail.com"
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<div class="gmail_quote">---------- Forwarded message ----------<br>
From: <b class="gmail_sendername">vineetha mandlik</b> <span
dir="ltr"><<a moz-do-not-send="true"
href="mailto:vinee2here@gmail.com">vinee2here@gmail.com</a>></span><br>
Date: Sat, Apr 21, 2012 at 9:22 PM<br>
Subject: help<br>
To: <a moz-do-not-send="true"
href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a><br>
<br>
<br>
Respected Sir/Madam<br>
<br>
I am new to gromacs and on giving the grompp command after
genion command I am getting the following error:<br>
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You need to provide us with copies of those commands for us to be
able to help you.<br>
<br>
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cite="mid:CAErwGFgiyRNWEcKJkb07AwouP+VJbgVYCUDK+f7qXtC0+tcZ+w@mail.gmail.com"
type="cite">
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<br>
<br>
<br>
Even after running the genion command and adding 4 Na+ ions
before the grompp command i still get<br>
<br>
Note: the system has non zero charge: -4.99998e+0.0 and then
this error..<br>
<br>
Number of coordinates in coordinate file (x_b4em.gro,24736) does
not match topology (x.top,247535). <br>
<br>
<br>
so can you help me in resolving this issue..<br>
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Why does your topology have a factor of 10 more atoms than your
coordinate file?<br>
<br>
Mark<br>
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<br>
Any help in this regard will be highly appreciated.<br>
<br>
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<br>
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