<div dir="ltr">Dear all:<br> I see from the user's manual that if our input is in reduced unit, the output will also be in reduced unit(,<a href="ftp://ftp.gromacs.org/pub/manual/3.1/manual-a4-3.1.1.pdf">ftp://ftp.gromacs.org/pub/manual/3.1/manual-a4-3.1.1.pdf</a>), P25. On the contrary, if we use standard unit, the out put will be in standard unit.<br>
This brings the question up when we use coarse grain Clementi's model webtool (<a href="http://smog.ucsd.edu/sbm_faq.html">http://smog.ucsd.edu/sbm_faq.html</a>), according to the author, it seems that everything is in reduced unit, so the output file should also be in reduced unit, yet I found the topology file that the energy unit is KJ/mol. What exactly is the unit of the input and out put file? When I pull the molecules, do I get the reduced unit result or the physical unit result?<br>
Since I am an experimentalist, getting the physical units is more important to me, so as to compare with the experimental results, albeit the intrinsic difference. If I get something in reduced unit, there is necessity for me to change it into physical unit, or at least clarify it in comparison.<br>
Thank you very much.<br><br>Ye<br></div>