[gmx-users] Simple L-J Particles' simulation for two type of atoms

[Anton Feenstra]

David wrote:

> On Tue, 2003-11-11 at 03:28, Albert Sun wrote:
> 
>>Dear David and Users,
>> 
>>I read chapter 5 a few times on .top file, but still can not solve my
>>problem after added in another type of atom C into the .top file, The
>>error messabe: "Moleculetype Argon contains no atoms". 
>>my .top is as below :
>>
>>   0.74158E-06 
>>
>>[ moleculetype ]
>>
>>; molname nrexcl
>>
>>Argon  1
>>
>>Carbon 1
>>
> 
> 
> you have two molecule names in one definition

It should be like this:

[moleculetype]
Argon 1
[atoms]
Ar ...

[moleculetype]
Carbon 1
[atoms]
C ...

[system]
whatever

[molecules]
Argon 2
Carbon 5




-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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