Hi dear<br>I think it has got 0.5 in equation.<br>U=0.5*K(r-b)2<br>but I dont knoe how do I get K please help me<br><br><b><i>dtmirij <dtmirij@sandia.gov></i></b> wrote:<blockquote class="replbq" style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"> Hello everyone,<br><br>I would like to know does the harmonic biasing potential for running<br>umbrella sampling in gromacs have a 0.5 in front or is the 0.5 term<br>incorporated into the force constant value that we specify?<br>On other words is the potential V=0.5*k(x-xo)^2 or V=k(x-xo)^2.<br><br>Thank you in advance.<br>-Dina<br><br><br>_______________________________________________<br>gmx-users mailing list gmx-users@gromacs.org<br>http://www.gromacs.org/mailman/listinfo/gmx-users<br>Please search the archive at http://www.gromacs.org/search before posting!<br>Please don't post (un)subscribe requests to the list. Use the <br>www interface or send it to
gmx-users-request@gromacs.org.<br>Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br></blockquote><br><p> 
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