[gmx-users] molecule type

[Justin A. Lemkul]

Justin A. Lemkul wrote:
> 
> 
> sarah k wrote:
>> dear Justin,
>>  
>> I should appreciate your guides in this period. They're really helpful 
>> but again, I have some problem:
>>  
>> I started over, several times as you suggested. I replaced the name of 
>> SOL with N2. The problem of coordinates was solved by manual addition 
>> of #N2 molecules to topol.top each time. But this error appears:
>> Program grompp_d,
>> Source file: topio.c, line: 587
>> Molecule type 'N2' contains no atoms
>>  
> 
> Be sure your naming is consistent - the [moleculetype] and whatever 
> residue(s) that are part of it are separate concepts.
> 

Posting whatever topology you're using for nitrogen would also be helpful.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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