<div dir="ltr">Hi,<div><br></div><div>Also, there's existing .mdp options for user-supplied ints, reals and groups, so you only need to get involved with the mess when you decide your idea is working well.</div><div><br></div><div>Mark</div></div><br><div class="gmail_quote"><div dir="ltr">On Tue, Nov 10, 2015 at 10:24 PM Kutzner, Carsten <<a href="mailto:ckutzne@gwdg.de">ckutzne@gwdg.de</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
You also need to write the value of the variable to .tpr file. Look for do_inputrec() in tpxio. cpp<br>
<br>
Carsten<br>
<br>
<br>
<br>
<br>
> Am 10.11.2015 um 21:11 schrieb Vedran Miletić <<a href="mailto:rivanvx@gmail.com" target="_blank">rivanvx@gmail.com</a>>:<br>
><br>
> 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>
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