sapna sarupria wrote:
Hello,
The simulation does not run even for one step and therefore, it is not
possible for me to check any of the components such as energy,
temperature etc. There is no error message except for "segmentation
fault". It does the same thing if I try to energy minimize the
JMandumpal wrote:
I think, setting tc groups = systemwill solve this issue.
Bad idea. Treating the protein and the surrounding solvent together will lead
to temperature differences between the two groups, such that the overall system
will have the correct temperature, but the protein and
2 matches
Mail list logo
