Re: [gmx-users] Fatal error when using Hbond restraints

2007-03-17 Thread David van der Spoel
Robert Johnson wrote: Hello everyone, I'm performing a simulation that includes a 2D infinite SiO2 substrate. I'm not interested in the high frequency motion of the substrate bonds, so I'm applying position restraints to all the SiO2 atoms. I have other molecules in the system such as water and D

Re: [gmx-users] Fatal error when using Hbond restraints

2007-03-17 Thread David van der Spoel
Robert Johnson wrote: Hello everyone, I'm performing a simulation that includes a 2D infinite SiO2 substrate. I'm not interested in the high frequency motion of the substrate bonds, so I'm applying position restraints to all the SiO2 atoms. I have other molecules in the system such as water and D

[gmx-users] Fatal error when using Hbond restraints

2007-03-17 Thread Robert Johnson
Hello everyone, I'm performing a simulation that includes a 2D infinite SiO2 substrate. I'm not interested in the high frequency motion of the substrate bonds, so I'm applying position restraints to all the SiO2 atoms. I have other molecules in the system such as water and DNA that require hydroge