[gmx-users] Water-Mediated Hydrogen Bonds

Dear All, I’m doing research in the field of Protein-DNA interaction. I have gone through these papers, *A “Solvated Rotamer” Approach to Modeling Water-Mediated Hydrogen Bonds at Protein–Protein Interfaces* *“Effect on DNA relaxation of the single Thr718Ala mutation in human topoisomerase I:

[gmx-users] Gromacs to Amber trajectory

Dear All, I have created Amber input file (.prmtop and .rst7) using Xleap. And then I have converted this input file into Gromacs input file format (*.gro and *.top) with amb2gmx.pl script. I did simulation using Gromacs Package (Amber Force Field). Now I would like to convert Gromacs trajectory

Re: [gmx-users] Gromacs to Amber trajectory

...@anu.edu.auwrote: ** On 17/06/2011 2:57 AM, Raja Pandian wrote: Dear All, I have created Amber input file (.prmtop and .rst7) using Xleap. And then I have converted this input file into Gromacs input file format (*.gro and *.top) with amb2gmx.pl script. I did simulation using Gromacs Package