Please follow this tutorial for preparing prmtop and inpcrf with metal ions
http://ambermd.org/tutorials/advanced/tutorial20/
Regards
*Elvis Martis* PhD Student, Bombay College of Pharmacy
[image: photo] Email: elvis_bcp.elvismartis.in <elvis_bcp.elvismartis.in>
Website: http://www.elvismartis.in <http://www.elvismartis.in/>
group website: http://www.profeccoutinho.net.in/
Address:
Kalina, Santa Cruz [E]
, Mumbai, 400 098, INDIA
Alt. e-mail: emartis12.live.com
<
https://in.linkedin.com/in/elvisadrianmartis>
On 31 October 2016 at 09:15, 杨满意 <ymy0664.163.com> wrote:
> [image: Boxbe] <https://www.boxbe.com/overview> This message is eligible
> for Automatic Cleanup! (ymy0664.163.com) Add cleanup rule
> <https://www.boxbe.com/popup?url=https%3A%2F%2Fwww.boxbe.com%2Fcleanup%3Fkey%3DoybWriE9dt%252Fin5Pyxhj0S0NYFv83Egls%252BLkbU9vBNao%253D%26token%3D6sVxfT2gaTtBmtfTNiQaAaONp%252FfnZhIwGQKU%252BGiOkvu%252FASeSW%252BE6D9Mbia6kS5NvetOd2%252FmQrSSTvQXVyKwwY2GkRqMPpJzl5Y39SgombZ8QfTFHUGBBQ%252FCh3Eh5gQXq3RFbuXvXzss%253D&tc_serial=27380878185&tc_rand=2104447508&utm_source=stf&utm_medium=email&utm_campaign=ANNO_CLEANUP_ADD&utm_content=001>
> | More info
> <http://blog.boxbe.com/general/boxbe-automatic-cleanup?tc_serial=27380878185&tc_rand=2104447508&utm_source=stf&utm_medium=email&utm_campaign=ANNO_CLEANUP_ADD&utm_content=001>
>
>
>
> Hello,
> I am a new user of Amber. Now I have a problem in preparing input
> (inpcrd and prmtop) files for systems contain metal atoms. there was no
> atom type of metal atoms in AMBER force filed. How to prepare the input
> files for systems contain metal atoms?
> If using semiempirical method,such as PM6, to do MD simulation,
> does the charge and atom type are still important and necessary.
> Thanks
>
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Oct 30 2016 - 21:30:02 PDT
