[gmx-developers] Define an new group
Rebecca Kleemann
rkleeman at students.uni-mainz.de
Fri Apr 10 12:55:43 CEST 2020
Hi,
I want to add a group to set atoms to a constant velocity.
enum
{
egcTC, egcENER, egcACC, egcFREEZE,
egcUser1, egcUser2, egcVCM, egcCompressedX,
egcORFIT, egcQMMM,
egcNR
};
const char *gtypes[egcNR+1] = {
"T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
"User1", "User2", "VCM", "Compressed X", "Or. Res. Fit",
"QMMM", nullptr
};
Are "User1" and "User2" meant to be used like that and can they be
renamed or should I add a new group and increase the number of groups?
Greetings,
Rebecca
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