Hi, The tools look first in the working directory for such files, so copy it there and modify however suits you.
Mark On Mon, Nov 12, 2018 at 2:42 PM tca1 <t...@rice.edu> wrote: > I sent this message on Friday, but I didn't see it show up in my > digest, so I'm trying again. Here's the previous text: > > > Thanks all for your suggestions so far. I believe I've got things more > or less functional but I want to refine how I'm constructing my > initial simulation box. > > In particular, I'm using a custom coarse-grained system, so I'd like > to be able to tailor the effective vdW radii for use with > insert-molecules and solvate commands to accommodate the typically > larger sizes of the CG sites. However, many of my simulations are on > clusters or other resources where I can't edit the vdwradii.dat file > and not all CG particles in my simulation have the same radii, so just > updating the default radius using the -radius option isn't completely > satisfactory either. > > Is there a way to tailor these values for each type of CG particle > without editing the database file, or some other similar workaround to > this issue? > > Thanks, > Tom > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.