Re: [gmx-users] Re: Should I use continuation = yes in my production dynamics following equilibration?

2012-05-13 Thread Justin A. Lemkul
On 5/13/12 9:54 PM, Andrew DeYoung wrote: Hi Justin, Thanks so much! :-) I checked, and I am using no constraints. However, what if I were? If I did have constraints, then what would you recommend for the continuation keyword? Per the description in the manual, it should be set to "yes"

[gmx-users] Re: Should I use continuation = yes in my production dynamics following equilibration?

2012-05-13 Thread Andrew DeYoung
Hi Justin, Thanks so much! :-) I checked, and I am using no constraints. However, what if I were? If I did have constraints, then what would you recommend for the continuation keyword? Thanks! Andrew DeYoung Carnegie Mellon University --- If not using constraints, the continuation keyword