normal increase force in SmallMolecule.itp results no change !

More
9 months 4 weeks ago #9645 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.

Please Log in or Create an account to join the conversation.

More
9 months 4 weeks ago #9646 by vainikka
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.

Please Log in or Create an account to join the conversation.

Time to create page: 0.079 seconds