Re: [gmx-users] Does adding artificial mass cause problems for friction studies?

2018-12-10 Thread Dallas Warren
Look into heavy hydrogens (x4 mass) which is one way to increase the time step since the frequency of vibrations for the hydrogen bond is decreased due to the increase in mass. Should be a number of references out there looking into the effect the mass increase has directly. Catch ya, Dr.

[gmx-users] Does adding artificial mass cause problems for friction studies?

2018-12-10 Thread James
Hi, When studying friction it can be inconvenient for a structure to have low mass. If you push on the structure hard enough to overcome static friction, it then accelerates so rapidly that the speeds are unrealistic. One way to overcome this problem is to increase the structure's mass. But,