[gmx-users] pbc option

2010-02-15 Thread Amit Choubey 
Hi Everyone,

I changed the gromacs source code a little bit and this change introduced
some bias along x direction. Now i want to do a 'yz' pbc but gromacs has the
option of pbc = xy only. Is there a quick tip to circumvent? I can always
introduce the bias along z but its a little time taking job :)

Amit
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Re: [gmx-users] pbc option

2010-02-15 Thread Mark Abraham 
On 02/16/10, Amit Choubey  kgp.a...@gmail.com wrote:Hi Everyone,I changed the gromacs source code a little bit and this change introduced some bias along x direction. Now i want to do a 'yz' pbc but gromacs has the option of pbc = xy only. Is there a quick tip to circumvent? I can always introduce the bias along z but its a little time taking job :)Rotate the simulation box?Mark
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