[AMBER] Number of residues in a solvent box

From: Chinthaka Ratnaweera <cnr88.msstate.edu>
Date: Thu, 26 Sep 2013 11:53:27 -0500


I have rather general question about solvent boxes used in amber.
I noted that different solvent boxes have different number of residues per
box. For example TIP3PBOX has 216, MEOHBOX has 125, and CHCL3BOX has 1375
residues per box. How does this determined? Is it just arbitrarily
selected? If I am making a new solvent box, is there a optimal number of
residues to be taken?

Thank you

Chinthaka Nadun Ratnaweera
Hand Lab Rm 1126
Mississippi State University
310 Presidents Circle
Starkville, MS 39762
AMBER mailing list
Received on Thu Sep 26 2013 - 10:00:02 PDT
Custom Search