[gmx-users] g_saltbr speed
hmkvsri at gmail.com
Thu Jul 12 14:41:31 CEST 2012
Thank you It worked :). a very usefull suggestion.
But it did not promt to choose any option. I used
On Thu, Jul 12, 2012 at 6:02 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> On 7/12/12 8:31 AM, Kavyashree M wrote:
>> Ok may be i need to specify an index file. I will try that.
>> And regarding the WARNING: this .tpx file is not fully functional.
>> I hope it will work fine enough to finish g_saltbr calculation?
> In principle, you should be prompted to choose a default group, but you can
> also use a custom index group as needed.
> The warning message is intended to note that the .tpr file you produce will
> not likely work for running an actual simulation. It should be fine for
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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