Hey Mark
Using
[virtual_sitesn]
39 2 34 35 36 37 38
seems to be working to define virtual sites at COM of group of atoms.
thanks for the answer...
sikandar
On Mon, Apr 25, 2011 at 12:15 AM, Mark Abraham wrote:
> On 4/25/2011 2:49 PM, Sikandar Mashayak wrote:
>
>> Hi
>>
>> I am not sure , eve
On 4/25/2011 2:49 PM, Sikandar Mashayak wrote:
Hi
I am not sure , even after reading the manual, about how to specify
virtual site in topology file which is located at com of 5 atoms. If I
were to specify it by using [ virutal_sitesn] then how to specify
weights, so that vsite is at COM?
T
Hi
I am not sure , even after reading the manual, about how to specify virtual
site in topology file which is located at com of 5 atoms. If I were to
specify it by using [ virutal_sitesn] then how to specify weights, so that
vsite is at COM?
thanks
sikandar
--
gmx-users mailing listgmx-user
3 matches
Mail list logo