Re: [gmx-users] combine two gro into one

Or you can do the renumbering through feeding the file through editconf. Tom Justin A. Lemkul wrote: Sikandar Mashayak wrote: yeah I know its simple, but only concern I have is that, the index of atom/residue in two files may not be in agreement, so I have to change/shift index of atoms in

Re: [gmx-users] combine two gro into one

Sikandar Mashayak wrote: yeah I know its simple, but only concern I have is that, the index of atom/residue in two files may not be in agreement, so I have to change/shift index of atoms in one of the file. but anyway I guess I will have to do it manually That part can be done with ge

Re: [gmx-users] combine two gro into one

yeah I know its simple, but only concern I have is that, the index of atom/residue in two files may not be in agreement, so I have to change/shift index of atoms in one of the file. but anyway I guess I will have to do it manually thanks sikandar On Thu, May 13, 2010 at 10:02 PM, Justin A. L

Re: [gmx-users] combine two gro into one

Sikandar Mashayak wrote: I need to do water channel simulations... I have two gro files with me...one for wall atoms and one for water atoms...assuming the co-ordinates of atoms are appropriate, I just need to rename the indices of each atom appropriately and append one file to anotherI p

[gmx-users] combine two gro into one

I need to do water channel simulations... I have two gro files with me...one for wall atoms and one for water atoms...assuming the co-ordinates of atoms are appropriate, I just need to rename the indices of each atom appropriately and append one file to anotherI plan to do it by hand...but it w