>On Wed, Sep 21, 2011, Guenegou, Guillaume [JRDFR] wrote:
>> It was obvioulsy that, my bad...
>>
>> I make tip4pwat=loadamberparams frcmod.tip4p
>> But, now I get the following error : "can't find parameter for tors
>> EP-OW-HW-HW" with ff03.r1 force field.
>> Did I forget something else?
>Works for me. And the torsion that seems to be missing is clearly in
the
>frcmod.tip4p file. Can you provide the actual commands you gave to
tleap?
I make : $AMBERHOME/bin/sleap -f leap.in
leap.in :
source leaprc.ff03.r1 #(modified file)
prot = loadpdb prot.pdb
solvatebox prot TIP4PBOX 10
saveamberparm prot prot.top prot.crd
quit
I added in leaprc.ff03.r1 : tip4pwat=loadamberparams frcmod.tip4pew
And I changed HOH = TP3 and WAT = TP3 into HOH = TP4 and WAT = TP4
respectively.
>And, another question I asked before: are you getting different
behavior with
>sleap than with tleap?
Sorry for not replying this answer. It perfectly works with tleap (no
special warning and files are well created).
>[Also, we certainly recommend tip4pew, *not* tip4p.]
By the way, both are not working.
>....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Sep 23 2011 - 00:30:03 PDT
