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locks; strict;
comment	@# @;


1.4
date	2001.01.24.17.58.43;	author ijliao;	state Exp;
branches;
next	1.3;

1.3
date	99.06.23.00.26.01;	author cpiazza;	state Exp;
branches;
next	1.2;

1.2
date	99.05.02.21.38.01;	author hoek;	state Exp;
branches;
next	1.1;

1.1
date	98.11.17.04.53.17;	author jkoshy;	state Exp;
branches
	1.1.1.1;
next	;

1.1.1.1
date	98.11.17.04.53.17;	author jkoshy;	state Exp;
branches;
next	;


desc
@@


1.4
log
@update from 3.7 to 3.8

PR:		24371
Submitted by:	MAINTAINER
@
text
@Tinker is a set of small programs for doing general purpose molecular
modeling calculations. Tools are included for energy minimizations,
geometry calculations, simulated annealing, molecular dynamics, and
molecular analysis calculations. Tools for converting coordinate sets
are also provided.  Tinker employs several force fields and minimization
techniques.

This port sets the maxatm value to 2500 atoms.  This should be
sufficient for most molecular systems.  Should you need to work with
larger systems you can set the maxatm parameter in the sizes.i file
located in the tinker/source directory and recompile.  Note that if it
is set too large that tinker programs will abort and core dump.

For more information about Tinker see:

WWW: http://dasher.wustl.edu/tinker/
@


1.3
log
@Update tinker from version 3.6 to version 3.7

PR:	12301
Submitted by:	maintainer
@
text
@d2 5
a6 3
modeling. Tools are included for energy minimizations, geometry
calculations, and molecular analysis calculations. Tools for converting
coordinate sets are also provided.
d8 5
a12 2
Tinker employs several force fields and minimizaation techniques.
Simulated annealing and molecular dynamics can be performed with Tinker.
@


1.2
log
@Weasal and Wabbits and BIG FOOT.
@
text
@d3 2
a4 2
calculations, and molecular analysis calculations. Tools for
converting coordinate sets are also provided.
d7 3
a9 2
Simulated annealing and molecular dynamics can be performed with
Tinker.
@


1.1
log
@Initial revision
@
text
@d10 1
a10 3
For more information visit the web page at:

http://dasher.wustl.edu/tinker/
@


1.1.1.1
log
@New port of the Tinker Molecular modelling program.

PR:		8690
Reviewed by:	jkoshy
Submitted by:	Glenn Johnson <gljohns@@bellsouth.net>
@
text
@@
