Re: [gmx-users] Distance restraint problem with 4.0.5 version

2009-10-08 Thread Alexandre Suman de Araujo
Mark Abraham escreveu: Alexandre Suman de Araujo wrote: Hi Gmxers Some months ago I performed some simulations, with GMX 3.3.3 version, where I apply distance restraint between water oxygen atoms and a static dummy site located at the center of a sphere to keep waters inside this sphere.

[gmx-users] Distance restraint problem with 4.0.5 version

2009-10-07 Thread Alexandre Suman de Araujo
Hi Gmxers Some months ago I performed some simulations, with GMX 3.3.3 version, where I apply distance restraint between water oxygen atoms and a static dummy site located at the center of a sphere to keep waters inside this sphere. After performed an upgrade to GMX 4.0.5 version this

Re: [gmx-users] Distance restraint problem with 4.0.5 version

2009-10-07 Thread Mark Abraham
Alexandre Suman de Araujo wrote: Hi Gmxers Some months ago I performed some simulations, with GMX 3.3.3 version, where I apply distance restraint between water oxygen atoms and a static dummy site located at the center of a sphere to keep waters inside this sphere. After performed an upgrade