Search found 7 matches

by Matthew Chen
Sun Jan 06, 2019 9:05 pm
Forum: OpenMM
Topic: customHbondForce cannot take tabulated functions with defined indexes.
Replies: 9
Views: 610

Re: customHbondForce cannot take tabulated functions with defined indexes.

Hello,

I am afraid this problem of installing DEV version has not been solved. I would very much appreciate your help to look into my issue.

Thanks and best,
Mingchen
by Matthew Chen
Wed Jan 02, 2019 8:41 pm
Forum: OpenMM
Topic: Installing development version of OpenMM
Replies: 4
Views: 1015

Re: Installing development version of OpenMM

Hi Dr. Chodera,

We have tried, but still met with the same problem...

Could you help look into this matter?

Thanks and Best,
by Matthew Chen
Fri Dec 28, 2018 12:09 am
Forum: OpenMM
Topic: customHbondForce cannot take tabulated functions with defined indexes.
Replies: 9
Views: 610

Re: customHbondForce cannot take tabulated functions with defined indexes.

Thanks a lot for your help!

Enjoy the New Year.
Mingchen
by Matthew Chen
Mon Dec 24, 2018 7:36 pm
Forum: OpenMM
Topic: customHbondForce cannot take tabulated functions with defined indexes.
Replies: 9
Views: 610

Re: customHbondForce cannot take tabulated functions with defined indexes.

Hello,

simtk is not there after installing the dev version. However, previously simtk was under that folder.

What does that mean? Do I need to install differently?

Thanks and Merry Xmas,
Mingchen
by Matthew Chen
Sat Dec 22, 2018 9:50 pm
Forum: OpenMM
Topic: customHbondForce cannot take tabulated functions with defined indexes.
Replies: 9
Views: 610

Re: customHbondForce cannot take tabulated functions with defined indexes.

Hello, I met with further problem when I updated my openmm using the above command: conda install -c omnia-dev openmm python -m simtk.testInstallation /Users/mingchenchen/anaconda2/envs/py36/bin/python: Error while finding module specification for 'simtk.testInstallation' (ModuleNotFoundError: No mo...
by Matthew Chen
Fri Dec 21, 2018 9:39 pm
Forum: OpenMM
Topic: customHbondForce cannot take tabulated functions with defined indexes.
Replies: 9
Views: 610

Re: customHbondForce cannot take tabulated functions with defined indexes.

Thanks a lot! I have noticed the changes, but could you tell me how to update the openmm suite (maybe through conda) with the most updated changes?

Sincerely,
Mingchen
by Matthew Chen
Thu Dec 20, 2018 8:28 pm
Forum: OpenMM
Topic: customHbondForce cannot take tabulated functions with defined indexes.
Replies: 9
Views: 610

customHbondForce cannot take tabulated functions with defined indexes.

Hi Peter, I met with this problem when I tried to implement a position dependent Hydrogen Bonding term in openmm. However, I met with the problem of "unknown particle res_i". I don't have this problem when I access tabulated functions in other custom forces before. Is hydrogen bonding term different...