[gmx-users] Re: Atoms are fused after inserting in membrane

[sdshine]

Dear all,

Does that mean the atoms will shrink and adjust at the time inflategro step
and
this closely packed lipids will stay apart? Because as you said the energy
of course will be high on selected atoms during first EM step.
Could you suggest me that, can I proceed as such with my system, since there
is no problem in grompp and EM step (except high energy on some atom).

or Do I need to manually remove those overlapping lipids and water
molecules.

Thanks in advance 




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