Oh ok. Good thing I checked.
Thanks!
Sandeep
On Aug 5, 2014 9:40 PM, "Justin Lemkul" wrote:
>
>
> On 8/5/14, 1:10 PM, Sandeep Somani wrote:
>
>> Hi
>>
>> Based on the documentation (
>> http://www.gromacs.org/Documentation/Cut-off_schemes), it seems that,
>> with
>> GMX 5, GBSA implicit solvent
On 8/5/14, 1:10 PM, Sandeep Somani wrote:
Hi
Based on the documentation (
http://www.gromacs.org/Documentation/Cut-off_schemes), it seems that, with
GMX 5, GBSA implicit solvent simulations with infinite cutoff (rcoulomb =
0, rvdw = 0, pbc = no) cannot be done on GPUs. Is that right?
Don't
Hi
Based on the documentation (
http://www.gromacs.org/Documentation/Cut-off_schemes), it seems that, with
GMX 5, GBSA implicit solvent simulations with infinite cutoff (rcoulomb =
0, rvdw = 0, pbc = no) cannot be done on GPUs. Is that right?
For CPU simulations I am quite happy with 4.6.5!
Best
