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<DIV>Hello All, </DIV>
<DIV> </DIV>
<DIV> In the gromacs manual, page 132 (version
3.1.1), it is said that, "The neighbor search cut-off rlist should be 0.1
to 0.3 nm larger than rvdw (distance for LJ cutoff) to accommodate for the size
of charge group.....", which I think is very reasonable.
However, when I use</DIV>
<DIV> </DIV>
<DIV>vdwtype = Shift</DIV>
<DIV>rlist=1.0</DIV>
<DIV>rvdw=0.9</DIV>
<DIV>rvdw_switch=0.8</DIV>
<DIV> </DIV>
<DIV>I got an error message:</DIV>
<DIV> </DIV>
<DIV>ERROR: rvdw must >= rlist</DIV>
<DIV> </DIV>
<DIV>How can this be? I thought rlist should be larger than rvdw.
Same problem happens to rcoulomb and rlist, too. Thanks in advance if
anyone could answer my questions. I'd very appreciate it. </DIV>
<DIV> </DIV>
<DIV>BTW, GROMACS is awesome.. I love it!</DIV>
<DIV> </DIV>
<DIV>Kun-Lin, 1/13</DIV>
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