Re: [AMBER] Error in rst file

From: Nhai <nhai.qn.gmail.com>
Date: Mon, 19 Dec 2016 11:41:01 -0500

Please look at top 4 posts in google results for

"rfree end of unit 5 amber"

Let us know if you still get the trouble.

Ps: you did not see netcdf format because you always use the default format. And like I said, amber16 changes its default format.

Hai

> On Dec 19, 2016, at 11:26 AM, Mohaddeseh Habibzadeh <m.habibzadeh.azaruniv.edu> wrote:
>
> Really?
> I didn't see this format before when I used amber14.
> I have 3 consecutive minimizations, for the last one it terminated abnormally without any rst file, because of this I thought that the "min2.rst" file caused this.
> What is the reason of this ending in "min3.out" --> rfree: End of file on unit 5
> Thank you very much
>
>> On Mon, 12/19/2016 11:11 AM, Nhai <nhai.qn.gmail.com> wrote:
>> It's normal. Amber16 uses netcdf format as default.
>>
>> Hai
>>
>>> On Dec 19, 2016, at 10:54 AM, Mohaddeseh Habibzadeh " target="_blank"><m.habibzadeh.azaruniv.edu> wrote:
>>>
>>> ​​Hello every one
>>> I'm using amber16. When minimizing, the restart file is not normal as you can see in the attachment.
>>> I couldn't find out where's the problem!
>>> Would you please tell me what I have to do?
>>> Regards
>>> <Screenshot from 2016-12-19 19:24:27.png>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 19 2016 - 09:00:02 PST
Custom Search