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Hi,<br><br>mdrun prints the field strength to the file at every step.<br>If your field is constant, this is completely useless, since it will just print<br>your input values every step.<br><br>You can make the file optional by a small change in src/mdlib/simutil.c:<br>--- a/src/mdlib/sim_util.c<br>+++ b/src/mdlib/sim_util.c<br>@@ -1295,7 +1295,8 @@ void init_md(FILE *fplog,<br> }<br> }<br><br>- if ((fp_field != NULL) && (ir->ex[XX].n || ir->ex[YY].n ||ir-><br>ex[ZZ].n))<br>+ if ((fp_field != NULL) && opt2bSet("-field",nfile,fnm) &&<br>+ (ir->ex[XX].n || ir->ex[YY].n ||ir->ex[ZZ].n))<br> {<br> if(Flags & MD_APPENDFILES)<br> {<br><br>I made this change for the next release.<br><br>Berk<br><br><hr id="stopSpelling">Date: Thu, 11 Mar 2010 13:03:20 +0600<br>From: ddubov@ngs.ru<br>To: gmx-users@gromacs.org<br>Subject: [gmx-users] huge field.xvg output<br><br>
<title>huge field.xvg output</title>
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Dear GMX'ers,<BR>
<br><BR>
I'm watching electric field effect to small systems (~20 atoms). Simulations are rather long, about 200 ns, and the output is infrequent. Without electric fiels all is right. But when applying small field by the line in mdp-file:<BR>
<br><BR>
E-x = 1 0.1 0.1<BR>
<br><BR>
my output includes huge (more than 60Gb) file "field.xvg". I failed to find its description in manual. What is the purpose of this output, and how can I reduce its size?<BR>
<br><BR>
Thanks, <BR>
<span class="ecxrvts6">-- </span><BR>
<span class="ecxrvts6"> Dmitri </span><a class="ecxrvts7" href="mailto:ddubov@ngs.ru">mailto:ddubov@ngs.ru</a><BR>                                            <br /><hr />New Windows 7: Find the right PC for you. <a href='http://windows.microsoft.com/shop' target='_new'>Learn more.</a></body>
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