Hi all
I faced the following problems working in Discover in MS 4.3
1. When creating input files for minimization, using save files feature, even if I select "Smart Minimizer" as the method, in the input file "method = newton" is mentioned instead of "cascade".
2. If I ran a NVE simulation on a model created and modified by MS it works fine on multiple processors but if I modify the velocities of some of the atoms, and then ran NVE, it runs fine on a single processor but blows off when ran on multiple processors.
Thanks
I faced the following problems working in Discover in MS 4.3
1. When creating input files for minimization, using save files feature, even if I select "Smart Minimizer" as the method, in the input file "method = newton" is mentioned instead of "cascade".
2. If I ran a NVE simulation on a model created and modified by MS it works fine on multiple processors but if I modify the velocities of some of the atoms, and then ran NVE, it runs fine on a single processor but blows off when ran on multiple processors.
Thanks
