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Cleanup after last commit.
author
Michael Shirts
<michael.shirts@virginia.edu>
Sun, 20 Dec 2009 20:27:20 +0000
(15:27 -0500)
committer
Michael Shirts
<michael.shirts@virginia.edu>
Sun, 20 Dec 2009 20:27:20 +0000
(15:27 -0500)
src/mdlib/sim_util.c
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diff --git
a/src/mdlib/sim_util.c
b/src/mdlib/sim_util.c
index c383b3fafee74af28d2173e0616744d7ef791b0f..0f4309684ea2ebed5807297bbb4c50597c0a37f3 100644
(file)
--- a/
src/mdlib/sim_util.c
+++ b/
src/mdlib/sim_util.c
@@
-1147,15
+1147,6
@@
void calc_dispcorr(FILE *fplog,t_inputrec *ir,t_forcerec *fr,
clear_mat(virial);
clear_mat(pres);
- /* first, set average if the variables have changes */
-
-#if 0
- {
- set_avcsixtwelve(fplog,fr,top_global);
- calc_enervirdiff(fplog,ir->eDispCorr,fr);
- }
-#endif
-
if (ir->eDispCorr != edispcNO) {
bCorrAll = (ir->eDispCorr == edispcAllEner ||
ir->eDispCorr == edispcAllEnerPres);