Re: [gmx-users] problem with index file

2012-02-13 Thread Mark Abraham
On 13/02/2012 11:00 PM, Anushree Tripathi wrote: How could we add DPPC group (for 6400 atoms) in index file?I have gone through the gromacs tutorial (http://www.gromacs.org/Documentation/Gromacs_Utilities/make_ndx) but not getting exactly. make_ndx -f your_coordinate_file_containing_DPPC.gro -n

[gmx-users] problem with index file

2012-02-13 Thread Anushree Tripathi
How could we add DPPC group (for 6400 atoms) in index file?I have gone through the gromacs tutorial (http://www.gromacs.org/Documentation/Gromacs_Utilities/make_ndx) but not getting exactly. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Plea

Re: [gmx-users] problem with index file

2010-05-18 Thread Justin A. Lemkul
Moeed wrote: Hello, I am trying to create an index file to get interaction energies between hexane (C6H14, 20atoms) molecules (interaction energy between two hexane molecules) I have 125 hexane molecules in my system. Please help me figure out what the problem is. make_ndx -f Hexane-Stack

[gmx-users] problem with index file

2010-05-18 Thread Moeed
Hello, I am trying to create an index file to get interaction energies between hexane (C6H14, 20atoms) molecules (interaction energy between two hexane molecules) I have 125 hexane molecules in my system. Please help me figure out what the problem is. make_ndx -f Hexane-Stack125.gro -o index.ndx