- Posts: 1
increase force in SmallMolecule.itp results no change !
- Zz
- Topic Author
- Offline
- Fresh Boarder
Less
More
9 months 4 weeks ago #9645
by Zz
increase force in SmallMolecule.itp results no change ! was created by Zz
i am trying to parameterize a small molecule. the increase in force parameter in itp file create no change in the final heights of distribution plots. even i have set the force to 50 million!! about the length of bonds, any tiny change create a change in the plots.
I would be grateful if anybody happen to know the solution.
I would be grateful if anybody happen to know the solution.
Please Log in or Create an account to join the conversation.
- vainikka
- Offline
- Admin
Less
More
- Posts: 91
9 months 4 weeks ago #9646
by vainikka
Replied by vainikka on topic increase force in SmallMolecule.itp results no change !
Hi,
Are you sure your top file is referring to the correct .itp file?
Can you post the itp here and indicate which values you've changed.
Are you sure your top file is referring to the correct .itp file?
Can you post the itp here and indicate which values you've changed.
Please Log in or Create an account to join the conversation.
Time to create page: 0.079 seconds