From: Hasith Sathsindu (hasith.sathsindu_at_gmail.com)
Date: Wed Sep 29 2021 - 13:23:57 CDT
I am dealing with the type III collagen (single) molecule in a water box. I
need to apply a constant force to all the carbon atoms except carbon atoms
of last residue which are fixed.
But that causes an error.
* ERROR: Atom 343 velocity is 8090.26 -7576.1 3976.9 (limit is 6000)*
*ERROR: Atoms moving too fast; simulation has become unstable.*
I used tip4 water molecules to the water box. Is that possible to do a Non
equilibrium simulation to this structure?
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:11 CST