Re: [AMBER] RESP charge derivation

From: shomesankar bhunia <rightclickatrighttime.gmail.com>
Date: Fri, 31 Aug 2012 01:51:40 -0400

Hii
jason if you can please help me out... i am in trouble..i am trying a
lot..but no solution... i am using RED on linux ubuntu that is using bash
shell.. Thanks in advance.

On Fri, Aug 31, 2012 at 12:02 AM, shomesankar bhunia <
rightclickatrighttime.gmail.com> wrote:

> Hii,
> Thanks again, but i am not getting anything when i type "which resp". Can
> you please hint me what necessary things i have to do so that i can
> interface GAMESS and RESP with REDIII.5, that will be very helpful.
>
>
> On Fri, Aug 31, 2012 at 12:51 AM, Jason Swails <jason.swails.gmail.com>wrote:
>
>> Because AMBERHOME/bin may not be in your PATH. Do you find the command
>> when you type "which resp"?
>>
>>
>> On Thu, Aug 30, 2012 at 3:04 PM, shomesankar bhunia <
>> rightclickatrighttime.gmail.com> wrote:
>>
>> > Thanks jason for your help.As gaussian is not free, i will try
>> GAMESS,but i
>> > have already installed amber tools in my system than why it is
>> displaying
>> > RESP not found? Thanks in advance.
>> >
>> > On Thu, Aug 30, 2012 at 2:55 PM, Jason Swails <jason.swails.gmail.com
>> > >wrote:
>> >
>> > > On Thu, Aug 30, 2012 at 2:49 PM, shomesankar bhunia <
>> > > rightclickatrighttime.gmail.com> wrote:
>> > > >
>> > > > * Software checking *
>> > > > Gaussian [ NOT FOUND ]
>> > > >
>> > >
>> > > You need to install Gaussian, or use one of the alternative programs.
>> > >
>> > >
>> > > > resp [ NOT FOUND ]
>> > > >
>> > >
>> > > You also need to install resp (which you can do by installing
>> > AmberTools).
>> > >
>> > > The error messages in this case point out what the problem is, so
>> don't
>> > be
>> > > afraid to try stuff out.
>> > >
>> > > HTH,
>> > > Jason
>> > >
>> > > --
>> > > Jason M. Swails
>> > > Quantum Theory Project,
>> > > University of Florida
>> > > Ph.D. Candidate
>> > > 352-392-4032
>> > > _______________________________________________
>> > > 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
>> >
>>
>>
>>
>> --
>> Jason M. Swails
>> Quantum Theory Project,
>> University of Florida
>> Ph.D. Candidate
>> 352-392-4032
>> _______________________________________________
>> 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 Thu Aug 30 2012 - 23:00:02 PDT
Custom Search