On 12/12/2010 6:25 PM, leila separdar wrote:
yes I have read them many times
OK, so you know how to understand how your .top files are describing the
nonbonded interactions between your atom types. Now you just need to
combine the two. Probably you want one atomtypes section, etc. If you
wan
yes I have read them many times
On Sun, Dec 12, 2010 at 10:41 AM, Mark Abraham wrote:
> On 12/12/2010 6:08 PM, leila separdar wrote:
>
>> I want to simulate a binary lenard jones system. I have .top and .gro file
>> for both A and B atom types . how can I mix this two atom types ? do I must
>> re
On 12/12/2010 6:08 PM, leila separdar wrote:
I want to simulate a binary lenard jones system. I have .top and .gro
file for both A and B atom types . how can I mix this two atom types ?
do I must regard the lenard jones potential between this two atom type
or not? and where I must put C12 and C
I want to simulate a binary lenard jones system. I have .top and .gro file
for both A and B atom types . how can I mix this two atom types ? do I must
regard the lenard jones potential between this two atom type or not? and
where I must put C12 and C6 parameters for interaction between these two
at
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