Re: [gmx-users] Implementations of/similar to accelerated MD (aMD) in GROMACS

2014-07-07 Thread Carsten Kutzner
Dear Manu Vajpai, On 07 Jul 2014, at 07:39, Manu Vajpai manuvaj...@gmail.com wrote: Hi all, I am interested in using accelerated MD or another method which allows me to sample rare events without specifying collective variables beforehand. The only solution that I have found for GROMACS so

[gmx-users] Implementations of/similar to accelerated MD (aMD) in GROMACS

2014-07-06 Thread Manu Vajpai
Hi all, I am interested in using accelerated MD or another method which allows me to sample rare events without specifying collective variables beforehand. The only solution that I have found for GROMACS so far is conformational flooding, but I can't find a reference for its implementation in any