The way I did it in leap:
loadoff ions08.lib
loadamberparams frcmod.ionsXXXXX
The XXXXX is replaced with the version you want use, each parametrized
differently. Look at the frcmod files in $AMBERHOME/dat/leap/parm (this is
for Amber11, might be different for recent Amber versions).
I'm in no way claiming that these Li+ ion parameters are suitable for the
system that you're considering, since AFAIK, these parameters are for
aqueous systems. I assume you know what you're doing and which parameters
are suitable for your system.
HTH,
Farid
10.10.2014, 07:11, "Evans, Shalton" <[1]shalton.ccs.msstate.edu>:
Hello everyone,
Is there anyone that knows the force field for lithium ions (Li+) and how
to source it into leap?
Shalton Evans
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AMBER mailing list
[2]AMBER.ambermd.org
[3]
http://lists.ambermd.org/mailman/listinfo/amber
10.10.2014, 07:11, "Evans, Shalton" <[4]shalton.ccs.msstate.edu>:
Hello everyone,
Is there anyone that knows the force field for lithium ions (Li+) and how
to source it into leap?
Shalton Evans
_______________________________________________
AMBER mailing list
[5]AMBER.ambermd.org
[6]
http://lists.ambermd.org/mailman/listinfo/amber
--
Mohd Farid Ismail
E-mail: [7]mohd.farid.ismail.yandex.com
Cellphone: 012-251-4565
References
1. mailto:shalton.ccs.msstate.edu
2. mailto:AMBER.ambermd.org
3.
http://lists.ambermd.org/mailman/listinfo/amber
4. mailto:shalton.ccs.msstate.edu
5. mailto:AMBER.ambermd.org
6.
http://lists.ambermd.org/mailman/listinfo/amber
7. mailto:mohd.farid.ismail.yandex.com
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AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 09 2014 - 17:00:02 PDT
