Re: Format of 'dcdfreq' field in conf file

From: Oscar Bastidas (obastida_at_umn.edu)
Date: Thu May 21 2020 - 01:19:05 CDT

Thanks.

Oscar

Oscar Bastidas, Ph.D.
Postdoctoral Research Associate
University of Minnesota

On Thu, May 21, 2020, 1:19 AM Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> Sorry, but from a computer's point of view this *not* an integer number.
> The decimal point makes it a floating point number (with an integer value).
>
> Axel.
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste, Italy
>
> On Thu, May 21, 2020, 02:12 Oscar Bastidas <obastida_at_umn.edu> wrote:
>
>> Hello,
>>
>> Would someone please tell me if, in my conf file, it is ok to write my
>> dcdfreq value in the following format:
>>
>> *dcdfreq 200.0; #please note the presence of the decimal point and
>> trailing zero*
>>
>> Does namd process this as if there were no decimal point? Or will it
>> crash? Looking at the namd documentation, it just says that the number
>> needs to be an integer which the above example is.
>>
>> Thanks.
>>
>> Oscar
>>
>> Oscar Bastidas, Ph.D.
>> Postdoctoral Research Associate
>> University of Minnesota
>>
>

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