Search found 4 matches

by sllmnls
Thu Mar 15, 2012 9:59 am
Forum: DelPhi Forum
Topic: how to specilize some certain salt ion?
Replies: 1
Views: 5096

how to specilize some certain salt ion?

If I want to investigate different salt ion ( for example, kcl and Nacl) effect on the electrostatic energy? How can I differentiate the salt ions in the delphi input file?
by sllmnls
Thu Mar 15, 2012 4:14 am
Forum: DelPhi Forum
Topic: converge problem
Replies: 8
Views: 8280

converge problem

I want to calculate the electrostatic energy of 1JTG (pdb ID) using delphi software, however, when the ion concentration is above 0.23 M, it does not converge after 8000 iterations. The maxc is set as 0.0001. why does it converge when the ion concentration is lower (below 0.22 M)? I have tried 0.138...
by sllmnls
Wed Oct 26, 2011 6:13 am
Forum: DelPhi Forum
Topic: how to generate the atom radius and chare distribution
Replies: 3
Views: 6696

Re: how to generate the atom radius and chare distribution

What about the charge of DNA and RNA? It seems that the charge files only include the charge of proteins.
by sllmnls
Tue Oct 25, 2011 3:38 am
Forum: DelPhi Forum
Topic: how to generate the atom radius and chare distribution
Replies: 3
Views: 6696

how to generate the atom radius and chare distribution

Now I can not understand how to generate the size and charge files. I mean that if I want to run a new calculation, not the example, what software I should use to generate the size and charge files? I think that the charge files should not be the same for all proteins or DNA. Moreover, how to get th...