On Fri, Sep 23, 2011, Guenegou, Guillaume [JRDFR] wrote:
>
>
> I make : $AMBERHOME/bin/sleap -f leap.in
> leap.in :
> source leaprc.ff03.r1 #(modified file)
How about using the original file, then adding this line (at this location):
tip4pwat=loadamberparams frcmod.tip4pew
> prot = loadpdb prot.pdb
> solvatebox prot TIP4PBOX 10
> saveamberparm prot prot.top prot.crd
> quit
Are there WAT or HOH residues in the prot.pdb file?
...thx...dac
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Received on Fri Sep 23 2011 - 06:30:04 PDT
