Re: [gmx-users] SPC with amber?

2013-09-24 Thread Rafael I. Silverman y de la Vega
Ok, thanks, I may just do that On Tue, Sep 24, 2013 at 2:42 PM, Mark Abraham wrote: > The FF+water combinations still work the same way they did 3 years > ago! :-) The important question is whether validation for the > observables has occurred. (And no relevant problems were seen). If the > pape

Re: [gmx-users] SPC with amber?

2013-09-24 Thread Mark Abraham
The FF+water combinations still work the same way they did 3 years ago! :-) The important question is whether validation for the observables has occurred. (And no relevant problems were seen). If the paper does not support its decision to mix and match, go and ask them why it was reasonable! Mark

[gmx-users] SPC with amber?

2013-09-24 Thread Rafael I. Silverman y de la Vega
Dear all, I have been trying to evaluate a paper that used amber99 with SPC water to simulate a protein. How would this affect the results, is it important? I googled for a bit, all I found was: "Amber, charmm and OPLS-AA were developed with TIP3P, and that should be the default. Except that charm