[gmx-users] AdResS feature in gromacs

[Eduardo Diniz]

Hello everyone,


I'm trying to run an simulation in gromacs with AdResS, where water is treated as fine grained in the region close to the protein and as coarse-grained in the farthest layers. I've already generated the tabulated potential for coarse-grained water with the VOTCA package and also the termodynamic force table with the same package. I generated the tpr file with no error and when I try to run mdrun the command complains about a missing file:


System I/O error:
Library file 'tablep.xvg' not found in current dir nor in the default
directories.
The following paths were searched:

I have no idea what is this tablep.xvg file. There is no problem in finding the thermodynamic force (tabletf.xvg) nor the coarse-grained tabulated potential (table.xvg). I tested it by removing this files, the command shows a similar message but instead complaining about the table.xvg/tabletf.xvg missing file. I appreciate if anyone could help me.