On Mon, Apr 13, 2015 at 1:00 PM, Carlos Romero <carlos.rom.74he.gmail.com>
wrote:
> Hi dear all.
>
> I have loaded frcmod.ionslrcm_cm_spce and frcmod.ionsjc_tip3p and prmtop
> and inpcrd files were saved ok.
>
What water model are you using? Note that the divalent metal ion
parameters
in frcmod.ionslrcm_cm_spce are optimized for the SPCE water model, while
frcmod.ionsjc_tip3p defines monovalent metal ion parameters optimized for
TIP3P water.
Make sure you load the correct ion parameters for the water model you are
using. Note that the Amber manual has a section on specifying ion
parameters near the beginning of the manual.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Apr 13 2015 - 10:30:04 PDT
