[gmx-users] Flat-bottomed Restrain

[ehsan shahini]

Dear all,

1. I need to restrain a small molecule in a region (cylindrical) and I want
to restrain all of its atoms in that region. The best tool is flat-bottomed
restrain but it only restrains individual atoms in their corresponding
regions and not all the atoms in a single region.

Hence, if I want to change the main code related to flat-bottomed where can
I find it?

Another question

2. Can we introduce virtual sites in Gromacs which are static and defined
by the user via the XYZ coordinates of them?

Kind regards,

Ehsan