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jayant james wrote:
<blockquote
cite="mid:6af5aacc0803281018md93e03bh6a184bb54de55e65@mail.gmail.com"
type="cite"><i>hi!<br>
I am attempting to run a distance & position restrained simulation
in water. The </i><i>distance and position restraining files are
called from the *.top file as posres.itp and disres.itp. After a 200ps
run I do not see the distance nor position restraining kicking in. I am
not sure if I have specified every thing correctly. I have pasted
essential parts of the topology file, em.mdp, pr.mdp, disres.itp and
posres.itp. Awaiting your feedback<br>
Thanks<br>
Jayant James<br>
</i><br>
<u><b>TOP FILE</b></u><br>
<br>
; Include Position restraint file<br>
#ifdef POSRES<br>
;include "posre.itp"<br>
#endif<br>
<br>
;include"disres.itp"<br>
<br>
</blockquote>
Putting semicolon in front of the line effectively turns off that line.<br>
<br>
Regards,<br>
Yang Ye<br>
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