Mark.Abraham at anu.edu.au
Sun May 27 23:52:28 CEST 2012
On 28/05/2012 7:48 AM, Justin A. Lemkul wrote:
> On 5/27/12 5:29 PM, Igor Druz wrote:
>> I would like to save disk space and write only protein coordinates using
>> xtc-grps, but preserve the same precision as in trr file. What value of
>> xtc-precision should be used to achieve this?
> Why not write a .trr file with the desired frequency? What you're
> looking to do is no different than setting a non-zero value of
> nstxout, with nstfout and nstvout set to zero.
You need to choose a large .xtc precision, or use nstxout and filter the
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