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I assumed that the first term defines the virtual atom > site, the second and third are the positions of the real atoms which > the virtual atom is placed in relation to. What does the function ?1? > stand for? Here I tried to place the virtu...
Fatal error: number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093) For more information and tips for troubleshooting, please check the GROMACS website athttp://www.gromacs.org/Documentation/Errors Did you consult the website? The answer is alw...
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(unless you build the .rtp entry yourself). You will have to build it by hand,or use another program to build the .top file. I just uploaded a script I wroteto build an OPLS-AA topology from a .pdb file to the Users Contributions sectionon the website, but it does not assign ...
to login. I did a search on “GMX reviews” and see a lot of people complaining about the same thing. To make a long story short I will be looking elsewhere for a private secure email paid account. Going to check out proton and start mail. Something strange going on with this company...
<aanlktik+v+7738y6eqgy6fnm4ygcvk-mzh1aw1sgj...@mail.gmail.com> Content-Type: text/plain; charset="iso-8859-1" You want to compile fftw with either --enable-shared or with --with-pic. Or you need to compile a static version of Gromacs. As the message says you ...