Question about MIN keyword in ALPHARMSD (PLUMED 2.9.3 vs 2.10.x)

23 views
Skip to first unread message

Chenfeng Zhang

unread,
Oct 31, 2025, 11:22:37 AMOct 31
to PLUMED users
Hi,

I’m trying to use the collective variable ALPHARMSD with the MIN option, and I’m getting an error in PLUMED 2.9.3. My input line is:

helix: ALPHARMSD RESIDUES=all TYPE=OPTIMAL NOPBC MIN BETA=10

The error message I get is:

ERROR for keyword MIN in action ALPHARMSD with label helix : keyword BETA is compulsory for this vessel.

I checked the PLUMED 2.10.x manual, and it looks like MIN is no longer listed as a keyword for ALPHARMSD. Has this functionality been removed or changed in newer versions?

Thanks for your help!


Best wishes,

Chenfeng


Reply all
Reply to author
Forward
0 new messages