Re: [gmx-users] Virtual Sites - remove from GRO

2012-05-14 Thread Steven Neumann
On Mon, May 14, 2012 at 1:51 PM, Mark Abraham wrote: > On 14/05/2012 10:42 PM, Steven Neumann wrote: > >> Dear Gmx Users, >> >> i run the implicit simulation with virtual sites on the hydrogen of my >> protein. Now I want to extract coordinates and run another simulation (in >> explicit solvent).

Re: [gmx-users] Virtual Sites - remove from GRO

2012-05-14 Thread Mark Abraham
On 14/05/2012 10:42 PM, Steven Neumann wrote: Dear Gmx Users, i run the implicit simulation with virtual sites on the hydrogen of my protein. Now I want to extract coordinates and run another simulation (in explicit solvent). Is there any way to remove those virtual sites from my gro file as

Re: [gmx-users] Virtual Sites - remove from GRO

2012-05-14 Thread Justin A. Lemkul
On 5/14/12 8:42 AM, Steven Neumann wrote: Dear Gmx Users, i run the implicit simulation with virtual sites on the hydrogen of my protein. Now I want to extract coordinates and run another simulation (in explicit solvent). Is there any way to remove those virtual sites from my gro file as VMD w

[gmx-users] Virtual Sites - remove from GRO

2012-05-14 Thread Steven Neumann
Dear Gmx Users, i run the implicit simulation with virtual sites on the hydrogen of my protein. Now I want to extract coordinates and run another simulation (in explicit solvent). Is there any way to remove those virtual sites from my gro file as VMD write the file using atoms not recognized by pd