<span>Hi,</span><div><br></div><div>Indeed you should. There will need to be some related changes there, but off the top of my head, I don't think much more than cosmetics has changed since the additional of flat-bottomed position restraints, so <a href="https://github.com/gromacs/gromacs/commit/3444f61970de5c9aa5894855c8c4732b850b6737">https://github.com/gromacs/gromacs/commit/3444f61970de5c9aa5894855c8c4732b850b6737</a> is probably quite a good model for you.</div><div><br></div><div>Mark<br><br><div class="gmail_quote"><div dir="ltr">On Fri., 8 Feb. 2019, 18:48 Shima Arasteh, <<a href="mailto:shima.arasteh@temple.edu">shima.arasteh@temple.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr">Hi,<div><br></div><div>I am adding a new function of Dihedral Restraint to the existing DIHRES function. I added the new function(let's say DIHRES2) in bonded.cpp and topdirs.cpp. But I have a question regarding modification of tpxio.cpp. </div><div>I added DIHRES2 as a new case under "do_iparams". But I have a less understanding about what it is going in the tpxio.cpp file. Should I add the DIHRES2 under the "static const t_ftupd ftupd[ ] = {...} "? Should I do any other changes on this file?</div><div>I would be really appreciated if you could give me some comments about modification of tpxio.cpp, please?</div><div><br></div><div>Thank you,</div><div>Shima A</div></div></div></div></div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><br></div></div></div></div></div>
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