On 7/10/17 10:52 AM, Sonia Milena Aguilera Segura wrote:
Dear Justin,
Thank you for the answer. I changed the two parameters suggested in the mdp
file and I ran again a minimization, 200 ps NVT, 200 ps NPT, and 1 ns MD for
the two cases of the previous mail, and now I am getting densities
Dear Justin,
Thank you for the answer. I changed the two parameters suggested in the mdp
file and I ran again a minimization, 200 ps NVT, 200 ps NPT, and 1 ns MD for
the two cases of the previous mail, and now I am getting densities around 771
g/m3 which is slightly underestimated, but close
