Irem

Hello all, I need to setup a system with harmonic restraints, and I'm running into problems. I have two general questions: 1- Is it possible to set up harmonic angular restraints? As far as I can tell from the documentation, the answer seems to be no, but I wanted to double check. 2- When I set up a simulation with harmonic distance restraints using FMCSC_SC_DREST, is there a way to check that the system is in fact applying them? Is there a harmonic energy calculation somewhere that the simulation...

Hi, I was wondering if you wrote down some notes about how you managed to get the installation to work on macos and would be willing to share? (It's fine that it's slower -- I just need to use it to set up systems and will run the actual simulations on the cluster.)

Hi, I'm trying to install CAMPARI on macOS 11.5.2. I have gcc, gfortran, and I managed to install some of the required libraries with homebrew. After pointing the configure script to the right location for automake/install-sh, I was able to run the configure script. However, running make afterwards results in the following error: ➜ source make all install gfortran -DDISABLE_FLOAT -DLINK_LAPACK -DLINK_XDR -DLINK_FFTW -O3 -march=native -funroll-loops -I/usr/local/include -c -cpp -fall-intrinsics -ffpe-trap=invalid,zero...