Thank-you for your reply.
I ran my simulations as .nc files but had to change them to .crd in order to visualise them with VMD (I’m on a windows computer) and got the ‘atoms overlapping at origin’ warnings which I saw online were due to corruption. Is this not the case?
Even so, why are netcdf less prone to corruption?
Thanks,
Victoria
> On 21 Feb 2021, at 10:57, Maria Nagan <maria.c.nagan.gmail.com> wrote:
>
> Are you sure they’re corrupted and not just netcdf trajectories? Sometimes with the mdcrd text files I’ve had corruption but not on only 10 ns. Also sometimes the transfer process affects this. Make sure you’re using netcdf files. They are less prone to corruption.
>
>> On Feb 20, 2021, at 11:36 AM, Victoria E Hill <vehill1.sheffield.ac.uk> wrote:
>>
>> Hi,
>>
>> I have been running some 10 ns simulations and almost all are corrupted. I
>> know how to fix this with 'skipbadframes' but I was wondering why this
>> happens? As I wasn't able to find an explanation online.
>>
>> Thanks,
>> Victoria
>>
>> --
>> *Victoria Hill*
>>
>> PhD student, Craggs lab
>> Department of Chemistry
>> University of Sheffield
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Received on Sun Feb 21 2021 - 05:00:02 PST
