Justin Lemkul wrote > On 1/1/13 1:31 PM, Gert Peters wrote: >> >> Anyone got a clue? I dont think I did something wrong as the implicit >> solvation >> model previously worked. All input is appreciated. >> > > From the path you've written above, it seems to imply you are modifying > the > gbsa.itp file in the source rather than the actual installed version. Is > that > the case? If so, are you editing it prior to installation? That's the > only way > it will work, otherwise you need to make the changes in the amber03.ff > subdirectory in $GMXLIB (/path/to/your/gromacs/share/gromacs/top). > > -Justin > > You're absolutely right. Thank you very much. Stupid mistake. > > Greetings, > Gert > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list
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