Further progress on REMD.

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4901 90e2fc84-bd37-0410-82f1-ae2f889bfac2
it changes the CA charge of CTRG

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4902 90e2fc84-bd37-0410-82f1-ae2f889bfac2
closing file unit after use


git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4903 90e2fc84-bd37-0410-82f1-ae2f889bfac2
recovr error in ewald_rec


git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4904 90e2fc84-bd37-0410-82f1-ae2f889bfac2
michele - fixed bug on info writing frequencies

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4905 90e2fc84-bd37-0410-82f1-ae2f889bfac2
wener printing

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4906 90e2fc84-bd37-0410-82f1-ae2f889bfac2
fluc with writing average coordinate


git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4907 90e2fc84-bd37-0410-82f1-ae2f889bfac2
bug fixed in fluc


git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4908 90e2fc84-bd37-0410-82f1-ae2f889bfac2
correct sign of repulsive term of potential

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4909 90e2fc84-bd37-0410-82f1-ae2f889bfac2
Disabled link-time optimization (at least temporarily).


git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4910 90e2fc84-bd37-0410-82f1-ae2f889bfac2
correct a bug in the picking of atoms for centering

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4911 90e2fc84-bd37-0410-82f1-ae2f889bfac2
improving code to analyze dim trajectories

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4912 90e2fc84-bd37-0410-82f1-ae2f889bfac2
added NATA to squeeze

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4913 90e2fc84-bd37-0410-82f1-ae2f889bfac2
a bug is corrected in program that analyze dim trajectories

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4914 90e2fc84-bd37-0410-82f1-ae2f889bfac2
Removed old maxflux directories

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4915 90e2fc84-bd37-0410-82f1-ae2f889bfac2
Added new path calculation code and example

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4916 90e2fc84-bd37-0410-82f1-ae2f889bfac2
Added new path calculation code and example

git-svn-id: https://svn.ices.utexas.edu/repos/clsb/trunk/moil@4917 90e2fc84-bd37-0410-82f1-ae2f889bfac2