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<!--StartFragment--><p class="MsoNormal">Hi,</p><p class="MsoNormal">I’ve been performing molecular dynamics simulations using
tabulated potentials with Gromacs version 4.0.7. Everything works fine with one
tabulated potential table for each type of energy group pair. However, what I
need to do now is that I need to use multiple position-dependent nonbonded potentials
(in tabulated form) for each of my energy group pairs.<span style="mso-spacerun: yes"> </span>That’s to say, for a certain energy
group pair, I need to assign multiple tables and the program should decide on
which one to use in the calculations depending on the positions of the atoms
along z-direction.<span style="mso-spacerun: yes"> </span>I was wondering
if any unofficial attempts to modify the source code have been made so far for
a similar purpose. <span style="mso-spacerun: yes"> </span>And which part
of the code should be changed? I checked the mail list archives, but could not
find such an entry. I know that this is going to be a very difficult task for a
newbie like me and probably would take quite some time, so I’d like to know
beforehand if what I want to do is reasonable. Unfortunately, I don’t have much
time until I graduate, so if it’s not reasonable I’d have to think about other
alternatives. I would really appreciate if anyone could help me with this.</p><p class="MsoNormal"><o:p>Thanks, </o:p></p><div>Beste Bayramoglu</div><div><br></div>
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