[gmx-users] Regarding No more replaceable solvent!

[Dilip H N]

Thank you sir...
Yes, I will post it in the group...




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On Mon, Feb 19, 2018 at 12:17 PM, Alex <nedomacho at gmail.com> wrote:

> Please be kind to respond to the list and not to my email. I believe that
> 3-4 water molecules get removed per ion, depending on the insertion cutoff,
> so with 90 x 4, you're left in a situation where there's pretty much no
> water left. Gromacs is actually doing you a huge favor with this error,
> because it could manage to insert all the ions and you would end up
> simulating something nonsensical.
>
> Increase your box size appropriately.
>
> Alex
>
>
> On 2/18/2018 11:30 PM, Dilip H N wrote:
>
>> Sir,
>> In connection with the above-mentioned title...
>>
>> I have a system of 1glycine+511 water molecules (total is 512
>> molecules).and the box length is 2.51nm.
>>
>> So, even if i replace by 45 Na+ and 45 Cl- ions (total is 90 ions) and
>> still i have 511-90 = 421 water molecules. and i think this is well within
>> the solubility...
>>
>> Then how do i solve this issue..??
>>
>> Any suggestions sir.
>>
>> Thank you.
>>
>>
>>
>>
>>
>> --
>> With Best Regards,
>>
>> DILIP.H.N
>> Ph.D. Student
>>
>>
>>
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-- 
With Best Regards,

DILIP.H.N
Ph.D Student