Below is what appeared in the patch reject file after installing amber 9 on a linux-i686, and
after applying bugfix.all . Does this mean anything? I did want to use LES, so do I
need to do anything?
Thanks.
***************
*** 4033,4044 ****
* Do recursive calls as necessary for outputing LES trajectories
*/
if ( outInfo->les_action != LES_NONE && outInfo->les_status == LES_READY ) {
- outInfo->les_status = LES_DONE;
int natomCL = lesSize( atoms );
double* xrep = safe_malloc( sizeof( double ) * natomCL );
double* yrep = safe_malloc( sizeof( double ) * natomCL );
double* zrep = safe_malloc( sizeof( double ) * natomCL );
if ( outInfo->les_action == LES_SPLIT ) {
int icopy=0;
--- 4033,4045 ----
* Do recursive calls as necessary for outputing LES trajectories
*/
if ( outInfo->les_action != LES_NONE && outInfo->les_status == LES_READY ) {
int natomCL = lesSize( atoms );
double* xrep = safe_malloc( sizeof( double ) * natomCL );
double* yrep = safe_malloc( sizeof( double ) * natomCL );
double* zrep = safe_malloc( sizeof( double ) * natomCL );
+
+ outInfo->les_status = LES_DONE;
if ( outInfo->les_action == LES_SPLIT ) {
int icopy=0;
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Mar 28 2007 - 06:07:44 PDT