[gmx-users] xtc-precision

[Mark Abraham]

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 
group afterwards.

Mark