Re: [gmx-users] g_hbond solvent insertion problem

Justin A. Lemkul skrev 2010-09-10 22.33: ceste...@unsl.edu.ar wrote: Hi all: I´m using gromacs version 4.0.2 and a box type truncated octahedron for the MD simulation. I need to analyze hydrogen bonds with solvent (water)insertion. I used the following command: g_hbond –f *.xtc –s *.tpr –n *.

Re: [gmx-users] g_hbond solvent insertion problem

ceste...@unsl.edu.ar wrote: Hi all: I´m using gromacs version 4.0.2 and a box type truncated octahedron for the MD simulation. I need to analyze hydrogen bonds with solvent (water)insertion. I used the following command: g_hbond –f *.xtc –s *.tpr –n *.ndx –num num.xvg –dist *.xvg –ang *.xvg –a

[gmx-users] g_hbond solvent insertion problem

Hi all: I´m using gromacs version 4.0.2 and a box type truncated octahedron for the MD simulation. I need to analyze hydrogen bonds with solvent (water)insertion. I used the following command: g_hbond –f *.xtc –s *.tpr –n *.ndx –num num.xvg –dist *.xvg –ang *.xvg –a 45 –r 0.3 –ins. I selected accep