On 11/05/2023 07:28, Raghuvir Pissurlenkar wrote:
> Dear Charo
> Thanks for the input but I have replaced the “ * “ with the proper name of the input file. The error lies in the execution or the input file.
> I am able to execute the command before and after. I would request if someone could execute the tutorial.
> Thanks and Regards
Hi Raghuvir,
I had a look at the tutorial files. Please remove the timlim variable from the input file. I believe this option was removed from the code of pmemd a long time ago (but apparently it is still in
sander). And please, do take into account that all the tutorial are just examples to show how some functionalities work, but they do not necessarily represent the best protocols to follow (this one,
for example, uses a quite old force field).
Cheers,
Charo
--
Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
Design Hub
Coventry University Technology Park
Coventry CV1 5FB
UK
https://charodelgenio.weebly.com
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Received on Thu May 11 2023 - 03:00:02 PDT
