Dear all,
In the "old" edit program, you could build general solvent boxes using the GEN control word.
Within this option you were able to set the starting density of your box with the keyword SCALE.
I've searched for something similar in the documentation of leap, but I could't find anything. So...
a) Is there any way to do that with the leap SolvateBox option?
b) Should I build a small pre-equilibrated box (with link/edit/parm), translate it to an .off file,
and build my box from it...
Any suggestions?
Thank you in advance,
xavi
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Xavier Deupi
Computational Medicine Lab
Biostatistics Unit. School of Medicine
Universitat Autonoma de Barcelona. CATALUNYA (Spain)
Phone : (3493)-581.38.12
E-mail: Xavier.Deupi_at_uab.es
________________________________________________________
Received on Wed Jul 17 2002 - 10:19:28 PDT
