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I guess that could be done with mrun -rerun, where you would have to
rerun with only the interaction you're interested in turned on.
Never tried it myself though.<br>
<br>
Erik<br>
<br>
Mikhail Stukan skrev 2010-08-31 15.05:
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<p class="MsoNormal"><span style="font-weight: normal;">Dear
Gromacs users,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-weight: normal;"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-weight: normal;">I am
quite new in gromacs,
so maybe I am missing something obvious. <o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-weight: normal;">Is there
any standard option/function
to calculate different impacts into the pressure tensor
(i.e. due to VdW
interactions, due to bonded interaction, due to
electrostatics etc.) ?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-weight: normal;"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-weight: normal;">Thanks a
lot in advance,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-weight: normal;">Mikhail<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span style="font-family:
"Arial","sans-serif"; font-weight:
normal;" lang="EN-GB">=============================================<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:
"Arial","sans-serif"; font-weight:
normal;" lang="EN-GB">Dr Mikhail Stukan<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:
"Arial","sans-serif"; font-weight:
normal;">Schlumberger Dhahran Carbonate Research Center,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:
"Arial","sans-serif"; font-weight:
normal;">Dhahran Techno Valley - KFUPM,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:
"Arial","sans-serif"; font-weight:
normal;">P.O. Box 39011, Dammam / Doha Camp 31942,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:
"Arial","sans-serif"; font-weight:
normal;">Kingdom of Saudi Arabia</span><span
style="font-family:
"Arial","sans-serif"; font-weight:
normal;"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:
"Arial","sans-serif"; font-weight:
normal;" lang="EN-GB">Tel: +966 3 331 0300 ext 6182<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:
"Arial","sans-serif"; font-weight:
normal;" lang="EN-GB">Fax:+966 3 330 0845<br>
<a moz-do-not-send="true" href="mailto:mstukan@slb.com"><span
style="color: blue;">mstukan@slb.com</span></a><o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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<br>
<br>
<pre class="moz-signature" cols="72">--
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
<a class="moz-txt-link-abbreviated" href="mailto:erikm@xray.bmc.uu.se">erikm@xray.bmc.uu.se</a> <a class="moz-txt-link-freetext" href="http://folding.bmc.uu.se/">http://folding.bmc.uu.se/</a>
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