Register
Log In
CHARMM Development Project
Forums
User Discussion & Questions
Parameter Set Discussion
units for the dihedral force constants
Search
Advanced Forum Search
Forums
Calendar
Active Threads
Previous Thread
Next Thread
Print Thread
units for the dihedral force constants
#
38200
02/19/21
03:02 PM
Joined:
Feb 2021
Posts: 4
K
kwaldner
OP
Forum Member
OP
kwaldner
Forum Member
K
Joined:
Feb 2021
Posts: 4
Does anyone know what the units are for the dihedral force constants in the CHARMM itp file?
Copy Link to Clipboard
Re: units for the dihedral force constants
kwaldner
#
38201
02/19/21
03:41 PM
Joined:
Sep 2003
Posts: 4,883
Likes: 12
~ 59N, 15E
lennart
Forum Member
lennart
Forum Member
Joined:
Sep 2003
Posts: 4,883
Likes: 12
~ 59N, 15E
That is a GROMACS question, please consult GROMACS support for a definitive answer.
Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden
Copy Link to Clipboard
Moderated by
alex
,
lennart
,
rmv
Hop To
User Discussion & Questions ------
Setup, I/O, and Basic questions
Energy terms, Constraints, Rest...
Parameter Set Discussion
Molecular Dynamics
Minimization, Normal modes, Mon...
Installation and Testing
Performance and Benchmarking
Other User Discussion and Questions
General Chemistry Discussions
CHARMM Interfaces ------
QM/MM Discussion and Questions
CHARMMing
CHARMM-GUI
MMTSB
Accelrys
CHARMM Community ------
Script Archive
Bug Reports & Fixes
Meetings & Events
Position Openings
CHARMM Course
Suggestions and Requests
Forum News and Announcements
Print Thread
Switch to Threaded Mode
Show Likes
Link Copied to Clipboard
View Profile
Private Message
Follow User
Forum Posts
Like Summary
View Profile
Private Message
Website
Follow User
Forum Posts
Like Summary
Default Style
UBBT77
UBBT77
UBBT77 - Dark
UBBT77 - Dark
ubbthreads-dark
ubbthreads stock
Forum Rules
·
Mark All Read
Privacy policy
HHS Responsible Disclosure Program
Site Tech Support
·
Forum Help
·
CHARMM Development Project
Powered by UBB.threads™ PHP Forum Software 7.7.5
(Release build 20201027)
Responsive Width:
PHP:
7.3.31-1~deb10u5
Page Time:
0.013s
Queries:
18 (0.008s)
Memory:
0.7269 MB (Peak: 0.7664 MB)
Data Comp:
Off
Server Time:
2023-12-10 16:47:51 UTC
Valid HTML 5
and
Valid CSS