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

10 views
Skip to first unread message

Chenfeng Zhang

unread,
Oct 31, 2025, 11:22:37 AM (7 days ago) Oct 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