<p dir="ltr">Hi,</p>
<p dir="ltr">You need code in tpxio.cpp to read and write the .tpr file. Pay attention to the stuff at the top of that file, too.</p>
<p dir="ltr">Mark</p>
<br><div class="gmail_quote"><div dir="ltr">On Tue, 10 Nov 2015 21:10 Vedran Miletić <<a href="mailto:rivanvx@gmail.com">rivanvx@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello,<br>
<br>
I'm trying to add a boolean mdp option. I added the following:<br>
<br>
* in src/gromacs/gmxpreprocess/readir.cpp:<br>
<br>
EETYPE("my-option", ir->bMyOption, yesno_names);<br>
<br>
*in src/gromacs/legacyheaders/types/inputrec.h in typedef struct t_inputrec<br>
<br>
gmx_bool bMyOption;<br>
<br>
* in src/gromacs/gmxlib/txtdump.cpp<br>
<br>
PS("my-option", EBOOL(ir->bMyOption));<br>
<br>
When I put my-option = yes in .mdp, and subserquently run grompp and<br>
mdrun, ir->bMyOption is 0 in gmx::do_md(). I'm printing the value of<br>
ir->bMyOption in while loop. Am I missing something?<br>
<br>
Regards,<br>
Vedran<br>
<br>
--<br>
Vedran Miletić<br>
<a href="http://vedranmileti.ch/" rel="noreferrer" target="_blank">http://vedranmileti.ch/</a><br>
--<br>
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