Re: [gmx-users] Re: gmx-users] Mopac7 / Gromacs 4.0.4 Issue

2009-04-09 Thread Matthew Lardy
Gerrit, First, I realized that it didn't complete my thought about why the ./configure fails. ld is simply unable to find the -lmopac library. It seems that I have gotten around that by adding the mopac information into pkgconfig directory (by way of creating a .pc file and placing it into the /us

[gmx-users] Re: gmx-users] Mopac7 / Gromacs 4.0.4 Issue

2009-04-08 Thread Gerrit Groenhof
Hi, it should suffice to set the LIBS prior to compiling. With what compiler was mopac7 compiled? I have thus far only been able to compile a working version with f2c/gcc. Not optimal. Using the intel fortran compiler, I also get a running mopac, but the results are not correct and I don't