[gmx-users] Question about forcefield files

Eric Smoll ericsmoll at gmail.com
Tue Jul 28 21:43:29 CEST 2015


Hello GROMACS users,

In the OPLS atomtypes.atp file, is it problematic to define atom type names
(e.g., "opls_XXX") with nonconsecutive integers? For example,

opls_1000 ...
opls_1100 ...
opls_1050 ...

Best,
Eric


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