[gmx-users] Re: force autocorrelation
khuws at khuws.plus.com
Wed Dec 12 21:04:54 CET 2012
Thanks, couldn't see the wood for the trees. Clear as daylight now.
On 11/12/12 19:39, Mark Abraham wrote:
> Yes. Read about analysis groups in chapter 8.
> On Tue, Dec 11, 2012 at 8:20 PM, khuws <khuws at khuws.plus.com> wrote:
>> I forgot to mention that I need the force autocorrelation for the forces
>> acting on a single atom. Will the method
>> 1. Run mdrun with nstfout set appropriately
>> 2. g_traj -h
>> 3. g_analyze -h
>> work here
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