From: Daniel Aguayo (bioquimico_at_gmail.com)
Date: Fri Mar 25 2011 - 14:45:15 CDT
Tks for sharing..
Is there any reference to cite for the suggested parameters??
Daniel Aguayo V.
On Mar 25, 2011, at 1:57 PM, Jernej Zidar wrote:
> Try adding the following to the bottom of your parameter file:
> MN 0.000000 -0.120000 1.710000 ! ALLOW ION
> Try adding the following to your topology file:
> at the beginning:
> MASS 91 MN 54.93804 MN ! manganese 2+
> at the end:
> RESI MN 2.00 ! manganese ion
> ATOM MN MN 2.00
> PATCHING FIRST NONE LAST NONE
> Best regards,
> On 25.3.2011, at 16:43, Lisa Brown wrote:
>> Hi all,
>> I just want to know that anyone has Mn 2+ ion CHARMM parameters and
>> likes to share with me?
>> Thank you in advance
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