AMBER Archive (2009)

Subject: Re: [AMBER] Constant pH simulation

From: Tom Joseph (ttjoseph_at_gmail.com)
Date: Wed Jun 10 2009 - 20:08:36 CDT

Perhaps it was removed:

http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_eight/section2.htm

You should probably be using leaprc.ff99SB instead of ff99 plus this
frcmod file, as ff99 has been deprecated.

--Tom

On Wed, Jun 10, 2009 at 8:56 PM, Rukman Hertadi<rukman_at_chem.itb.ac.id> wrote:
> Dear all
>
> I am currently using amber 9 and intend to use it to performe constant pH
> simulaiton. I have followed the manual in preparing coordinate and topology
> files as follows:
> source leaprc.ff99
> loadAmberParams frcmod.mod_phipsi.1
>
> However at this step, the error message came out, which is: "Could not open
> file frcmod.mod_phipsi.1: not found". I have tried to search this in
> $AMBERHOME/dat/leap/parm but this file was not there. I have also search in
> other places but also could not be found. If any body have had the same
> experience and can solve it please share.
>
> Rukman
>
>
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