If this is initial input, I'd just recreate it and check the files were
created correctly, to debug your process.
More-commonly, this happens after someone has enough files around to mix
them up, e,g, if you made prmtops with and without waters.
I'll leave you to look for file specifics here:
https://ambermd.org/FileFormats.php
Bill
On 1/3/21 11:43 AM, MYRIAN TORRES RICO wrote:
> Where can I see that the number of atoms differs? When I launch tLeap
> I have obtained this files...How do I work out it?
>
> Thanks in advance
>
> Myriam
> Bill Ross <ross.cgl.ucsf.edu> escribió:
>
>> You used the wrong prmtop file for your coords, number of atoms differs.
>>
>> Devs - might as well spell it out in the error msg.
>>
>> Bill
>>
>>
>> On 1/3/21 9:19 AM, MYRIAN TORRES RICO wrote:
>>> Hi alls,
>>>
>>> What does this error means?, I'm using AMBER16 and in the min_all step
>>> simulation appears:
>>>
>>> New format PARM file being parsed.
>>> | Version = 1.000 Date = 06/18/19 Time = 16:03:32
>>> | ERROR: natom mismatch in inpcrd/restrt and prmtop files!
>>>
>>> I check the file.top and file.crd and the natoms is the same...I have
>>> attached as photo; any idea?
>>>
>>>
>>> Thanks in advance,
>>>
>>>
>>> Myriam
>>>
>>>
>>>
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Received on Sun Jan 03 2021 - 13:30:03 PST
